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

C16H15ClN4O2S — CID 78792357

IUPAC3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
InChIInChI=1S/C16H15ClN4O2S/c1-3-6-12-19-20-16(24-12)18-15(22)13-9(2)23-21-14(13)10-7-4-5-8-11(10)17/h4-5,7-8H,3,6H2,1-2H3,(H,18,20,22)
InChIKeyNSWLILASTBKBQE-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.36
Rot. Bonds5

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

3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 78792357) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID78792357
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
InChIInChI=1S/C16H15ClN4O2S/c1-3-6-12-19-20-16(24-12)18-15(22)13-9(2)23-21-14(13)10-7-4-5-8-11(10)17/h4-5,7-8H,3,6H2,1-2H3,(H,18,20,22)
InChIKeyNSWLILASTBKBQE-UHFFFAOYSA-N
XLogP4.36
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1303357
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CID 3384885
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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CID 112773119
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CID 40833193
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 55571661
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CID 22583708
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 78792357) is 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is CCCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is NSWLILASTBKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-3-6-12-19-20-16(24-12)18-15(22)13-9(2)23-21-14(13)10-7-4-5-8-11(10)17/h4-5,7-8H,3,6H2,1-2H3,(H,18,20,22).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 4.36, 5 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-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 78792357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).