3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide

C17H17N3O2S — CID 31110120

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-12(14-8-5-11-23-14)18-15(21)9-10-16-19-17(20-22-16)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyRVYQPKFYQFSTIM-LBPRGKRZSA-N
MW327.41 g/mol
LogP3.61
Rot. Bonds6

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide (PubChem CID 31110120) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
PubChem CID31110120
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-12(14-8-5-11-23-14)18-15(21)9-10-16-19-17(20-22-16)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyRVYQPKFYQFSTIM-LBPRGKRZSA-N
XLogP3.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9152122
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 47209092
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide (CID 31110120) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide is C[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cccs1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is RVYQPKFYQFSTIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12(14-8-5-11-23-14)18-15(21)9-10-16-19-17(20-22-16)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 31110120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).