2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole

C14H13ClN2O — CID 3237840

IUPAC2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(Cn2cccc2C2=NCCO2)cc1
InChIInChI=1S/C14H13ClN2O/c15-12-5-3-11(4-6-12)10-17-8-1-2-13(17)14-16-7-9-18-14/h1-6,8H,7,9-10H2
InChIKeyOBFONFHRZYDOGE-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.97
Rot. Bonds3

About 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole

2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 3237840) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID3237840
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(Cn2cccc2C2=NCCO2)cc1
InChIInChI=1S/C14H13ClN2O/c15-12-5-3-11(4-6-12)10-17-8-1-2-13(17)14-16-7-9-18-14/h1-6,8H,7,9-10H2
InChIKeyOBFONFHRZYDOGE-UHFFFAOYSA-N
XLogP2.97
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-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 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole (CID 3237840) is 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole is Clc1ccc(Cn2cccc2C2=NCCO2)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OBFONFHRZYDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-5-3-11(4-6-12)10-17-8-1-2-13(17)14-16-7-9-18-14/h1-6,8H,7,9-10H2.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole?
2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 260.72 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3237840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).