4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole

C26H17Cl2NOS — CID 102264889

IUPAC4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2nc(-c3ccccc3)oc2-c2cccs2)cc1
InChIInChI=1S/C26H17Cl2NOS/c27-20-12-8-17(9-13-20)23(18-10-14-21(28)15-11-18)24-25(22-7-4-16-31-22)30-26(29-24)19-5-2-1-3-6-19/h1-16,23H
InChIKeyWPQHGBHLTSEPPS-UHFFFAOYSA-N
MW462.40 g/mol
LogP8.56
Rot. Bonds5

About 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole

4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole (PubChem CID 102264889) has the molecular formula C26H17Cl2NOS and a molecular weight of 462.40 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole
PubChem CID102264889
Molecular FormulaC26H17Cl2NOS
Molecular Weight462.40 g/mol
Exact Mass461.04
IUPAC Name4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2nc(-c3ccccc3)oc2-c2cccs2)cc1
InChIInChI=1S/C26H17Cl2NOS/c27-20-12-8-17(9-13-20)23(18-10-14-21(28)15-11-18)24-25(22-7-4-16-31-22)30-26(29-24)19-5-2-1-3-6-19/h1-16,23H
InChIKeyWPQHGBHLTSEPPS-UHFFFAOYSA-N
XLogP8.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-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

Related Compounds

ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 3734578
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
2,4-bis(1-benzothiophen-2-yl)-3-(4-chlorophenyl)-5-thiophen-2-ylfuran
CID 155929966
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78818373
5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 29271509
5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 80644367
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
1-benzhydryl-4-chlorobenzene
CID 13050205
3-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857174
(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9043981
2-(4-chlorophenyl)-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2107095

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole (CID 102264889) is 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole is Clc1ccc(C(c2ccc(Cl)cc2)c2nc(-c3ccccc3)oc2-c2cccs2)cc1.
What is the InChIKey of 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is WPQHGBHLTSEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2NOS/c27-20-12-8-17(9-13-20)23(18-10-14-21(28)15-11-18)24-25(22-7-4-16-31-22)30-26(29-24)19-5-2-1-3-6-19/h1-16,23H.
What are the key properties of 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole?
4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 462.40 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methyl]-2-phenyl-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 102264889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).