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

C13H9ClN2OS — CID 1471881

IUPAC3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1nc(-c2cc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C13H9ClN2OS/c1-8-15-12(7-18-8)13-6-11(16-17-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyCQUOFMNFVXOURX-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.43
Rot. Bonds2

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

3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 1471881) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID1471881
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1nc(-c2cc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C13H9ClN2OS/c1-8-15-12(7-18-8)13-6-11(16-17-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyCQUOFMNFVXOURX-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole (CID 1471881) is 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole is Cc1nc(-c2cc(-c3ccc(Cl)cc3)no2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is CQUOFMNFVXOURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-15-12(7-18-8)13-6-11(16-17-13)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
3-(4-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-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-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 1471881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).