N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C16H16N4O2S — CID 18198249

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)sc1C
InChIInChI=1S/C16H16N4O2S/c1-10-11(2)23-16(17-10)18-13(21)8-9-14-19-15(20-22-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyGKGUZLHYUHVWSK-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.38
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18198249) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18198249
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)sc1C
InChIInChI=1S/C16H16N4O2S/c1-10-11(2)23-16(17-10)18-13(21)8-9-14-19-15(20-22-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyGKGUZLHYUHVWSK-UHFFFAOYSA-N
XLogP3.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
CID 155918840
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134011961
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N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55515234
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354805
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 18198249) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GKGUZLHYUHVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-11(2)23-16(17-10)18-13(21)8-9-14-19-15(20-22-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 328.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18198249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).