N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H12ClN3O2S — CID 2121103

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H12ClN3O2S/c1-8-13(9(2)21-19-8)14(20)18-15-17-12(7-22-15)10-5-3-4-6-11(10)16/h3-7H,1-2H3,(H,17,18,20)
InChIKeyJBGBYFWWSHQWSA-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.32
Rot. Bonds3

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2121103) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2121103
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H12ClN3O2S/c1-8-13(9(2)21-19-8)14(20)18-15-17-12(7-22-15)10-5-3-4-6-11(10)16/h3-7H,1-2H3,(H,17,18,20)
InChIKeyJBGBYFWWSHQWSA-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2121103) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is JBGBYFWWSHQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-8-13(9(2)21-19-8)14(20)18-15-17-12(7-22-15)10-5-3-4-6-11(10)16/h3-7H,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2121103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).