N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide

C25H29N3O4 — CID 58760351

IUPACN-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)c1nn(CC(C)C)c(=O)o1
InChIInChI=1S/C25H29N3O4/c1-16(2)14-21(22(29)24-27-28(15-17(3)4)25(31)32-24)26-23(30)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13,16-17,21H,14-15H2,1-4H3,(H,26,30)/t21-/m0/s1
InChIKeyJXKVJTASIAKCMS-NRFANRHFSA-N
MW435.52 g/mol
LogP4.19
Rot. Bonds9

About N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide

N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide (PubChem CID 58760351) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide
PubChem CID58760351
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)c1nn(CC(C)C)c(=O)o1
InChIInChI=1S/C25H29N3O4/c1-16(2)14-21(22(29)24-27-28(15-17(3)4)25(31)32-24)26-23(30)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13,16-17,21H,14-15H2,1-4H3,(H,26,30)/t21-/m0/s1
InChIKeyJXKVJTASIAKCMS-NRFANRHFSA-N
XLogP4.19
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzoyl-N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]piperidin-1-ium-1-carboxamide
CID 91480287
N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 58760374
benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 58760371
N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide
CID 10230392
benzyl N-[(2S)-1-[[(2S)-1-(4-ethyl-5-oxo-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10183941
benzyl N-[(2S)-1-[[(2S)-1-[4-(2-methoxyethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 58760360
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(5-oxo-4-pentyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10142579
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide?
The IUPAC name of N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide (CID 58760351) is N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide is CC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)c1nn(CC(C)C)c(=O)o1.
What is the InChIKey of N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide?
The InChIKey is JXKVJTASIAKCMS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-16(2)14-21(22(29)24-27-28(15-17(3)4)25(31)32-24)26-23(30)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13,16-17,21H,14-15H2,1-4H3,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide?
N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide has a molecular weight of 435.52 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylbenzamide is sourced from PubChem (CID 58760351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).