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

C16H14ClN3O2S — CID 903511

IUPAC3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc1C
InChIInChI=1S/C16H14ClN3O2S/c1-8-10(3)23-16(18-8)19-15(21)13-9(2)22-20-14(13)11-6-4-5-7-12(11)17/h4-7H,1-3H3,(H,18,19,21)
InChIKeyNVBZHYYAUBAWAM-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.63
Rot. Bonds3

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

3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 903511) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID903511
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc1C
InChIInChI=1S/C16H14ClN3O2S/c1-8-10(3)23-16(18-8)19-15(21)13-9(2)22-20-14(13)11-6-4-5-7-12(11)17/h4-7H,1-3H3,(H,18,19,21)
InChIKeyNVBZHYYAUBAWAM-UHFFFAOYSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 903511) is 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NVBZHYYAUBAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-8-10(3)23-16(18-8)19-15(21)13-9(2)22-20-14(13)11-6-4-5-7-12(11)17/h4-7H,1-3H3,(H,18,19,21).
What are the key properties of 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 903511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).