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

C19H13ClN2OS — CID 2745593

IUPAC4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClN2OS/c1-12-17(18(22-23-12)13-5-3-2-4-6-13)16-11-24-19(21-16)14-7-9-15(20)10-8-14/h2-11H,1H3
InChIKeyRBAJUPRLRBMNCH-UHFFFAOYSA-N
MW352.85 g/mol
LogP6.09
Rot. Bonds3

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

4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 2745593) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID2745593
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC Name4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClN2OS/c1-12-17(18(22-23-12)13-5-3-2-4-6-13)16-11-24-19(21-16)14-7-9-15(20)10-8-14/h2-11H,1H3
InChIKeyRBAJUPRLRBMNCH-UHFFFAOYSA-N
XLogP6.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (CID 2745593) is 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is RBAJUPRLRBMNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-12-17(18(22-23-12)13-5-3-2-4-6-13)16-11-24-19(21-16)14-7-9-15(20)10-8-14/h2-11H,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 352.85 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).