3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine

C21H17ClN4O — CID 92666806

IUPAC3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESClc1ccc(-c2noc3ncnc(N4CC[C@@H](c5ccccc5)C4)c23)cc1
InChIInChI=1S/C21H17ClN4O/c22-17-8-6-15(7-9-17)19-18-20(23-13-24-21(18)27-25-19)26-11-10-16(12-26)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2/t16-/m1/s1
InChIKeyFYQWJCFZALHCSM-MRXNPFEDSA-N
MW376.85 g/mol
LogP4.93
Rot. Bonds3

About 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine

3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 92666806) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID92666806
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESClc1ccc(-c2noc3ncnc(N4CC[C@@H](c5ccccc5)C4)c23)cc1
InChIInChI=1S/C21H17ClN4O/c22-17-8-6-15(7-9-17)19-18-20(23-13-24-21(18)27-25-19)26-11-10-16(12-26)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2/t16-/m1/s1
InChIKeyFYQWJCFZALHCSM-MRXNPFEDSA-N
XLogP4.93
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine 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 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine (CID 92666806) is 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine is Clc1ccc(-c2noc3ncnc(N4CC[C@@H](c5ccccc5)C4)c23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is FYQWJCFZALHCSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-8-6-15(7-9-17)19-18-20(23-13-24-21(18)27-25-19)26-11-10-16(12-26)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2/t16-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 376.85 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[(3S)-3-phenylpyrrolidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 92666806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).