N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

C16H15N3O2S — CID 95100273

IUPACN-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1nnc(-c2ccsc2)o1)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-11(12-5-3-2-4-6-12)17-14(20)9-15-18-19-16(21-15)13-7-8-22-10-13/h2-8,10-11H,9H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyVWECBLTXICBREW-LLVKDONJSA-N
MW313.38 g/mol
LogP3.22
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 95100273) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID95100273
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1nnc(-c2ccsc2)o1)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-11(12-5-3-2-4-6-12)17-14(20)9-15-18-19-16(21-15)13-7-8-22-10-13/h2-8,10-11H,9H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyVWECBLTXICBREW-LLVKDONJSA-N
XLogP3.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
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N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100271
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-(3,4-dimethylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161999
N-(3-chlorophenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162006
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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N-[2-(4-chlorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162041
N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42943191
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
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1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 95100273) is N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is C[C@@H](NC(=O)Cc1nnc(-c2ccsc2)o1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is VWECBLTXICBREW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11(12-5-3-2-4-6-12)17-14(20)9-15-18-19-16(21-15)13-7-8-22-10-13/h2-8,10-11H,9H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 95100273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).