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

C13H9ClN2OS — CID 2745331

IUPAC3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)no1
InChIInChI=1S/C13H9ClN2OS/c1-8-6-11(16-17-8)13-15-12(7-18-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyFPRIRPZAACWTBI-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.43
Rot. Bonds2

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

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 2745331) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
PubChem CID2745331
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)no1
InChIInChI=1S/C13H9ClN2OS/c1-8-6-11(16-17-8)13-15-12(7-18-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyFPRIRPZAACWTBI-UHFFFAOYSA-N
XLogP4.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
CID 1471881
4-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole
CID 1479633
5-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745315
5-Methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745330
4-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 2747347
N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 3658116
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2726221
4-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2745593
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 36968025
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 52601838
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75369420
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75403324

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (CID 2745331) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)no1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is FPRIRPZAACWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-6-11(16-17-8)13-15-12(7-18-13)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 276.75 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 2745331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).