(2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole

C16H15NO — CID 24851295

IUPAC(2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
SMILESc1ccc([C@H]2N[C@@H]3c4ccccc4C[C@@H]3O2)cc1
InChIInChI=1S/C16H15NO/c1-2-6-11(7-3-1)16-17-15-13-9-5-4-8-12(13)10-14(15)18-16/h1-9,14-17H,10H2/t14-,15+,16-/m0/s1
InChIKeyFCUDQLADWMXZKQ-XHSDSOJGSA-N
MW237.30 g/mol
LogP2.97
Rot. Bonds1

About (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole

(2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole (PubChem CID 24851295) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
PubChem CID24851295
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
SMILESc1ccc([C@H]2N[C@@H]3c4ccccc4C[C@@H]3O2)cc1
InChIInChI=1S/C16H15NO/c1-2-6-11(7-3-1)16-17-15-13-9-5-4-8-12(13)10-14(15)18-16/h1-9,14-17H,10H2/t14-,15+,16-/m0/s1
InChIKeyFCUDQLADWMXZKQ-XHSDSOJGSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][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

(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
(3aS,8bR)-spiro[1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2,1'-cyclohexane]
CID 44139026
2H-Indeno[2,1-d]oxazol-2-one, 3,3a,4,8b-tetrahydro-, cis-
CID 86752856
1-[(1S,2R)-2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
CID 11955103
1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
CID 23149263
1-[(1R,2R)-2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
CID 68923324
3,3a,4,8b-Tetrahydroindeno[2,1-d][1,3]oxazol-2-one
CID 19075613
(3aS,8bR)-2-(4-methoxyphenyl)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
CID 44512554
Oxazolidino-[4,5-a]acenaphthene
CID 129789685
(3aS,8bR)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
CID 131074085

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole (CID 24851295) is (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole is c1ccc([C@H]2N[C@@H]3c4ccccc4C[C@@H]3O2)cc1.
What is the InChIKey of (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The InChIKey is FCUDQLADWMXZKQ-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-6-11(7-3-1)16-17-15-13-9-5-4-8-12(13)10-14(15)18-16/h1-9,14-17H,10H2/t14-,15+,16-/m0/s1.
What are the key properties of (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
(2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole has a molecular weight of 237.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 24851295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).