(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C19H21NO — CID 134948891

IUPAC(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESc1ccc([C@H]2O[C@H]3CCCCN3[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)21-17-13-7-8-14-20(17)18/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18+,19+/m0/s1
InChIKeyCUXYEPRNAKDLCH-IPMKNSEASA-N
MW279.38 g/mol
LogP4.31
Rot. Bonds2

About (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 134948891) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID134948891
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESc1ccc([C@H]2O[C@H]3CCCCN3[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)21-17-13-7-8-14-20(17)18/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18+,19+/m0/s1
InChIKeyCUXYEPRNAKDLCH-IPMKNSEASA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 134948891) is (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is c1ccc([C@H]2O[C@H]3CCCCN3[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is CUXYEPRNAKDLCH-IPMKNSEASA-N. The full InChI is InChI=1S/C19H21NO/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)21-17-13-7-8-14-20(17)18/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18+,19+/m0/s1.
What are the key properties of (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
(2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 279.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,8aS)-2,3-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 134948891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).