3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide

C19H18N4O3 — CID 39335824

IUPAC3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1nc(CC(=O)Nc2ccccc2)no1)c1ccccc1
InChIInChI=1S/C19H18N4O3/c1-13(14-8-4-2-5-9-14)20-18(25)19-22-16(23-26-19)12-17(24)21-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,25)(H,21,24)/t13-/m0/s1
InChIKeyODDPERQIWHRWFS-ZDUSSCGKSA-N
MW350.38 g/mol
LogP2.74
Rot. Bonds6

About 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide

3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39335824) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39335824
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1nc(CC(=O)Nc2ccccc2)no1)c1ccccc1
InChIInChI=1S/C19H18N4O3/c1-13(14-8-4-2-5-9-14)20-18(25)19-22-16(23-26-19)12-17(24)21-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,25)(H,21,24)/t13-/m0/s1
InChIKeyODDPERQIWHRWFS-ZDUSSCGKSA-N
XLogP2.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
3-[(2-acetamidophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 45494912
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 75117853
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
3-[(4-chloropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082957
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082816
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297983
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 39036188
3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082886

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide (CID 39335824) is 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide is C[C@H](NC(=O)c1nc(CC(=O)Nc2ccccc2)no1)c1ccccc1.
What is the InChIKey of 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ODDPERQIWHRWFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(14-8-4-2-5-9-14)20-18(25)19-22-16(23-26-19)12-17(24)21-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,25)(H,21,24)/t13-/m0/s1.
What are the key properties of 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).