2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide

C19H21N3O2S — CID 95100278

IUPAC2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)N[C@@H](C)CCc2ccccc2)o1
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-25-18(13)19-22-21-17(24-19)12-16(23)20-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyISANKELPYBXCIU-AWEZNQCLSA-N
MW355.46 g/mol
LogP3.79
Rot. Bonds7

About 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 95100278) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID95100278
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)N[C@@H](C)CCc2ccccc2)o1
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-25-18(13)19-22-21-17(24-19)12-16(23)20-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyISANKELPYBXCIU-AWEZNQCLSA-N
XLogP3.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95100279
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 52906307
3-methyl-4-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62963811
N-[(2-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162121
N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162088
N-(3-methylphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162083
N-cyclohexyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162107
N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162061
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
2-(2-anilino-1,3-thiazol-4-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27377769

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 95100278) is 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide is Cc1ccsc1-c1nnc(CC(=O)N[C@@H](C)CCc2ccccc2)o1.
What is the InChIKey of 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is ISANKELPYBXCIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-10-11-25-18(13)19-22-21-17(24-19)12-16(23)20-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 95100278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).