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

C22H19N3O3S — CID 40790864

IUPAC2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15(16-9-11-18(12-10-16)17-6-3-2-4-7-17)23-20(26)14-25-22(27)28-21(24-25)19-8-5-13-29-19/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyUMJDXJVCMKLEOW-OAHLLOKOSA-N
MW405.48 g/mol
LogP4.11
Rot. Bonds6

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

2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 40790864) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID40790864
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15(16-9-11-18(12-10-16)17-6-3-2-4-7-17)23-20(26)14-25-22(27)28-21(24-25)19-8-5-13-29-19/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyUMJDXJVCMKLEOW-OAHLLOKOSA-N
XLogP4.11
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 40718358
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 17471969
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835912
N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide (CID 40790864) is 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide is C[C@@H](NC(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is UMJDXJVCMKLEOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15(16-9-11-18(12-10-16)17-6-3-2-4-7-17)23-20(26)14-25-22(27)28-21(24-25)19-8-5-13-29-19/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 40790864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).