(3R,7aS)-3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one

Cat. No.: PI103201792

Product Details Other Identifiers Computed Properties

CAS	103201-79-2
Purity	98%
Molecular Formula	C12H13NO2
Molecular Weight	203.24
Molar Refractivity	59.31

Pubchem ID	395160
InChI Key	OURKKNDNLSPPQY-CMPLNLGQSA-N
MDL Number	MFCD02179180

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	29.54 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.42
Log Po/w (iLOGP)	2.02
Log Po/w (XLOGP3)	1.11
Log Po/w (WLOGP)	1.0
Log Po/w (MLOGP)	1.85
Log Po/w (SILICOS-IT)	1.7
Consensus Log Po/w	1.54
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.75 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.9

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