(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

C18H19NO — CID 101053645

IUPAC(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESc1ccc([C@H]2CO[C@]3(c4ccccc4)CCCN23)cc1
InChIInChI=1S/C18H19NO/c1-3-8-15(9-4-1)17-14-20-18(12-7-13-19(17)18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-,18+/m1/s1
InChIKeyMHSDVJFDQREGJB-MSOLQXFVSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds2

About (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (PubChem CID 101053645) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
PubChem CID101053645
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESc1ccc([C@H]2CO[C@]3(c4ccccc4)CCCN23)cc1
InChIInChI=1S/C18H19NO/c1-3-8-15(9-4-1)17-14-20-18(12-7-13-19(17)18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-,18+/m1/s1
InChIKeyMHSDVJFDQREGJB-MSOLQXFVSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,8aR)-8a-methyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 10512968
3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 101081693
(3R,8aR)-3,8a-diphenyl-6,6-bis(prop-2-enyl)-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11595898
(3R,6R,8aR)-6-benzyl-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11552713
(4R,9aS)-9a-ethyl-4-phenyl-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,4]oxazin-1-one
CID 10038190
(4R,9aR)-9a-benzyl-4-phenyl-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,4]oxazin-1-one
CID 10064690
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153
(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione
CID 102505304
3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 54857270
(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
CID 71352528

Frequently Asked Questions

What is the IUPAC name of (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (CID 101053645) is (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is c1ccc([C@H]2CO[C@]3(c4ccccc4)CCCN23)cc1.
What is the InChIKey of (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The InChIKey is MHSDVJFDQREGJB-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-8-15(9-4-1)17-14-20-18(12-7-13-19(17)18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-,18+/m1/s1.
What are the key properties of (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole has a molecular weight of 265.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 101053645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).