N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C18H19N3O2S — CID 38012862

IUPACN-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1
InChIInChI=1S/C18H19N3O2S/c1-12(2)13-3-5-15(6-4-13)19-16(22)7-8-17-20-21-18(23-17)14-9-10-24-11-14/h3-6,9-12H,7-8H2,1-2H3,(H,19,22)
InChIKeyLCDVSIBYFXQCKL-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.49
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38012862) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38012862
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1
InChIInChI=1S/C18H19N3O2S/c1-12(2)13-3-5-15(6-4-13)19-16(22)7-8-17-20-21-18(23-17)14-9-10-24-11-14/h3-6,9-12H,7-8H2,1-2H3,(H,19,22)
InChIKeyLCDVSIBYFXQCKL-UHFFFAOYSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
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N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 126786079
N-(3,4-dimethylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38012862) is N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is LCDVSIBYFXQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(2)13-3-5-15(6-4-13)19-16(22)7-8-17-20-21-18(23-17)14-9-10-24-11-14/h3-6,9-12H,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38012862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).