(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide

C23H32N4O4 — CID 10216622

IUPAC(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H32N4O4/c1-23(2,3)19(22-25-20(26-31-22)17-11-5-4-6-12-17)24-21(29)18(14-27(30)15-28)13-16-9-7-8-10-16/h4-6,11-12,15-16,18-19,30H,7-10,13-14H2,1-3H3,(H,24,29)/t18-,19-/m1/s1
InChIKeyWQSZQRYPRJQPCG-RTBURBONSA-N
MW428.53 g/mol
LogP3.98
Rot. Bonds9

About (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 10216622) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID10216622
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H32N4O4/c1-23(2,3)19(22-25-20(26-31-22)17-11-5-4-6-12-17)24-21(29)18(14-27(30)15-28)13-16-9-7-8-10-16/h4-6,11-12,15-16,18-19,30H,7-10,13-14H2,1-3H3,(H,24,29)/t18-,19-/m1/s1
InChIKeyWQSZQRYPRJQPCG-RTBURBONSA-N
XLogP3.98
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(1S)-1-(1H-benzo[f]benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 10161106
(3S)-3-[[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]nonadecanoic acid
CID 122411362
(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
CID 21082304
(2R)-2-(cyclopentylmethyl)-N-[(1S)-1-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-3-[formyl(hydroxy)amino]propanamide
CID 10180299
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 21082311
(2R)-2-(cyclopentylmethyl)-N-[(1S)-1-[6-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-2,2-dimethylpropyl]-3-[formyl(hydroxy)amino]propanamide
CID 87639285
(2S,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135681453
(2R,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10237962
2-(cyclopentylmethyl)-N-[(1S)-1-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-3-[formyl(hydroxy)amino]propanamide
CID 87639468
3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 42883827
(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 21082288
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
CID 90860717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide (CID 10216622) is (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide is CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is WQSZQRYPRJQPCG-RTBURBONSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-23(2,3)19(22-25-20(26-31-22)17-11-5-4-6-12-17)24-21(29)18(14-27(30)15-28)13-16-9-7-8-10-16/h4-6,11-12,15-16,18-19,30H,7-10,13-14H2,1-3H3,(H,24,29)/t18-,19-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 428.53 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 10216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).