3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole

C22H18ClNO2 — CID 3883265

IUPAC3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NOC(c3ccc(OCc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C22H18ClNO2/c23-19-10-6-17(7-11-19)21-14-22(26-24-21)18-8-12-20(13-9-18)25-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2
InChIKeyVBGJUHJPZFPSSP-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.78
Rot. Bonds5

About 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 3883265) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID3883265
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NOC(c3ccc(OCc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C22H18ClNO2/c23-19-10-6-17(7-11-19)21-14-22(26-24-21)18-8-12-20(13-9-18)25-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2
InChIKeyVBGJUHJPZFPSSP-UHFFFAOYSA-N
XLogP5.78
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-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 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 3883265) is 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole is Clc1ccc(C2=NOC(c3ccc(OCc4ccccc4)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is VBGJUHJPZFPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-19-10-6-17(7-11-19)21-14-22(26-24-21)18-8-12-20(13-9-18)25-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2.
What are the key properties of 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 363.84 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 3883265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).