N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide

C21H22N4O4 — CID 87907364

IUPACN-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
SMILESO=C(N[C@H]1CCC[C@H]1C(=O)NO)c1ccc(C2CC(c3ccccn3)=NO2)cc1
InChIInChI=1S/C21H22N4O4/c26-20(23-16-6-3-4-15(16)21(27)24-28)14-9-7-13(8-10-14)19-12-18(25-29-19)17-5-1-2-11-22-17/h1-2,5,7-11,15-16,19,28H,3-4,6,12H2,(H,23,26)(H,24,27)/t15-,16+,19?/m1/s1
InChIKeyOTCYCXQYAMZYBX-IEAUQHRDSA-N
MW394.43 g/mol
LogP2.35
Rot. Bonds5

About N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide

N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide (PubChem CID 87907364) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
PubChem CID87907364
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
SMILESO=C(N[C@H]1CCC[C@H]1C(=O)NO)c1ccc(C2CC(c3ccccn3)=NO2)cc1
InChIInChI=1S/C21H22N4O4/c26-20(23-16-6-3-4-15(16)21(27)24-28)14-9-7-13(8-10-14)19-12-18(25-29-19)17-5-1-2-11-22-17/h1-2,5,7-11,15-16,19,28H,3-4,6,12H2,(H,23,26)(H,24,27)/t15-,16+,19?/m1/s1
InChIKeyOTCYCXQYAMZYBX-IEAUQHRDSA-N
XLogP2.35
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
CID 87907234
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
CID 59673793
(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078862
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide
CID 90854889

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide?
The IUPAC name of N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide (CID 87907364) is N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide is O=C(N[C@H]1CCC[C@H]1C(=O)NO)c1ccc(C2CC(c3ccccn3)=NO2)cc1.
What is the InChIKey of N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide?
The InChIKey is OTCYCXQYAMZYBX-IEAUQHRDSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-20(23-16-6-3-4-15(16)21(27)24-28)14-9-7-13(8-10-14)19-12-18(25-29-19)17-5-1-2-11-22-17/h1-2,5,7-11,15-16,19,28H,3-4,6,12H2,(H,23,26)(H,24,27)/t15-,16+,19?/m1/s1.
What are the key properties of N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide?
N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide has a molecular weight of 394.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 87907364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).