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

C18H19ClN4O2S — CID 1303357

IUPAC3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
InChIInChI=1S/C18H19ClN4O2S/c1-4-11(5-2)17-21-22-18(26-17)20-16(24)14-10(3)25-23-15(14)12-8-6-7-9-13(12)19/h6-9,11H,4-5H2,1-3H3,(H,20,22,24)
InChIKeyZVSLFFDDGWXVIW-UHFFFAOYSA-N
MW390.90 g/mol
LogP5.31
Rot. Bonds6

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

3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 1303357) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID1303357
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
InChIInChI=1S/C18H19ClN4O2S/c1-4-11(5-2)17-21-22-18(26-17)20-16(24)14-10(3)25-23-15(14)12-8-6-7-9-13(12)19/h6-9,11H,4-5H2,1-3H3,(H,20,22,24)
InChIKeyZVSLFFDDGWXVIW-UHFFFAOYSA-N
XLogP5.31
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
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CID 112773119
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
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ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate
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3-(2-chlorophenyl)-N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 22583708
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19227428
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CID 4182103
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 1303357) is 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is ZVSLFFDDGWXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-4-11(5-2)17-21-22-18(26-17)20-16(24)14-10(3)25-23-15(14)12-8-6-7-9-13(12)19/h6-9,11H,4-5H2,1-3H3,(H,20,22,24).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 390.90 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1303357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).