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

C16H15NO — CID 135014680

IUPAC(3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
SMILESc1ccc(C2N[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-QMRHZFGWSA-N
MW237.30 g/mol
LogP2.97
Rot. Bonds1

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

(3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole (PubChem CID 135014680) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
PubChem CID135014680
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
SMILESc1ccc(C2N[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-QMRHZFGWSA-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 (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

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole (CID 135014680) is (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole is c1ccc(C2N[C@@H]3c4ccccc4C[C@@H]3O2)cc1.
What is the InChIKey of (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The InChIKey is FCUDQLADWMXZKQ-QMRHZFGWSA-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 (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
(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 (3aS,8bR)-2-phenyl-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 135014680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).