3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide

C16H13ClN4O3S — CID 1084706

IUPAC3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1
InChIInChI=1S/C16H13ClN4O3S/c1-8(22)7-12-18-16(25-21-12)19-15(23)13-9(2)24-20-14(13)10-5-3-4-6-11(10)17/h3-6H,7H2,1-2H3,(H,18,19,21,23)
InChIKeyFIVJWGWFGBVAAU-UHFFFAOYSA-N
MW376.83 g/mol
LogP3.54
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide (PubChem CID 1084706) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
PubChem CID1084706
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1
InChIInChI=1S/C16H13ClN4O3S/c1-8(22)7-12-18-16(25-21-12)19-15(23)13-9(2)24-20-14(13)10-5-3-4-6-11(10)17/h3-6H,7H2,1-2H3,(H,18,19,21,23)
InChIKeyFIVJWGWFGBVAAU-UHFFFAOYSA-N
XLogP3.54
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 903511
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CID 2726548
3-(2-chlorophenyl)-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 1259131
3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1292039
N-[4-(tert-butyl)-1,3-thiazol-2-yl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2805103
N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526877
3-Butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole
CID 5008898
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
CID 690605
3-(2-chlorophenyl)-5-methyl-N-(1H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide
CID 2163470
3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 661208
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-isoxazolecarboxamide
CID 717543
3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1164259

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide (CID 1084706) is 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide is CC(=O)Cc1nsc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is FIVJWGWFGBVAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-8(22)7-12-18-16(25-21-12)19-15(23)13-9(2)24-20-14(13)10-5-3-4-6-11(10)17/h3-6H,7H2,1-2H3,(H,18,19,21,23).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 376.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1084706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).