6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one

C18H17NO2 — CID 134947019

IUPAC6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OCC2CC(c3ccccc3)(c3ccccc3)CN12
InChIInChI=1S/C18H17NO2/c20-17-19-13-18(11-16(19)12-21-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyRBBFCGYXVUFKBP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.20
Rot. Bonds2

About 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one

6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 134947019) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID134947019
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OCC2CC(c3ccccc3)(c3ccccc3)CN12
InChIInChI=1S/C18H17NO2/c20-17-19-13-18(11-16(19)12-21-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyRBBFCGYXVUFKBP-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-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 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one (CID 134947019) is 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one is O=C1OCC2CC(c3ccccc3)(c3ccccc3)CN12.
What is the InChIKey of 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is RBBFCGYXVUFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17-19-13-18(11-16(19)12-21-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one?
6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 279.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 134947019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).