1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one

C19H20N2O2 — CID 23122043

IUPAC1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C2CNCCCN12
InChIInChI=1S/C19H20N2O2/c22-18-21-13-7-12-20-14-17(21)19(23-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20H,7,12-14H2
InChIKeyUBZFCUUTNMIWGS-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.74
Rot. Bonds2

About 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one

1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one (PubChem CID 23122043) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one.

Molecular Properties

Compound Name1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one
PubChem CID23122043
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C2CNCCCN12
InChIInChI=1S/C19H20N2O2/c22-18-21-13-7-12-20-14-17(21)19(23-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20H,7,12-14H2
InChIKeyUBZFCUUTNMIWGS-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one 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 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one?
The IUPAC name of 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one (CID 23122043) is 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one.
What is the SMILES notation for 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one?
The canonical SMILES for 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one is O=C1OC(c2ccccc2)(c2ccccc2)C2CNCCCN12.
What is the InChIKey of 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one?
The InChIKey is UBZFCUUTNMIWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-21-13-7-12-20-14-17(21)19(23-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20H,7,12-14H2.
What are the key properties of 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one?
1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one has a molecular weight of 308.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-5,6,7,8,9,9a-hexahydro-[1,3]oxazolo[3,4-a][1,4]diazepin-3-one is sourced from PubChem (CID 23122043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).