N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C17H15ClN4O3S — CID 17354805

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(=O)c1sc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)nc1C
InChIInChI=1S/C17H15ClN4O3S/c1-9-15(10(2)23)26-17(19-9)20-13(24)7-8-14-21-16(22-25-14)11-5-3-4-6-12(11)18/h3-6H,7-8H2,1-2H3,(H,19,20,24)
InChIKeyFTHRTWOMJLSYOA-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.93
Rot. Bonds6

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 17354805) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID17354805
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(=O)c1sc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)nc1C
InChIInChI=1S/C17H15ClN4O3S/c1-9-15(10(2)23)26-17(19-9)20-13(24)7-8-14-21-16(22-25-14)11-5-3-4-6-12(11)18/h3-6H,7-8H2,1-2H3,(H,19,20,24)
InChIKeyFTHRTWOMJLSYOA-UHFFFAOYSA-N
XLogP3.93
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
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3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
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N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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N-(5-chloro-2-methylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 17354805) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(=O)c1sc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FTHRTWOMJLSYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-9-15(10(2)23)26-17(19-9)20-13(24)7-8-14-21-16(22-25-14)11-5-3-4-6-12(11)18/h3-6H,7-8H2,1-2H3,(H,19,20,24).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 390.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 17354805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).