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

C21H22N4O5 — CID 90854889

IUPAC3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide
SMILESO=C(NC1CCCC1C(=O)NO)c1ccc(C2C=C(c3ccncc3)NO2)c(O)c1
InChIInChI=1S/C21H22N4O5/c26-18-10-13(20(27)23-16-3-1-2-14(16)21(28)24-29)4-5-15(18)19-11-17(25-30-19)12-6-8-22-9-7-12/h4-11,14,16,19,25-26,29H,1-3H2,(H,23,27)(H,24,28)
InChIKeyCINZCAPRXMCJMP-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.81
Rot. Bonds5

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

3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide (PubChem CID 90854889) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide
PubChem CID90854889
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide
SMILESO=C(NC1CCCC1C(=O)NO)c1ccc(C2C=C(c3ccncc3)NO2)c(O)c1
InChIInChI=1S/C21H22N4O5/c26-18-10-13(20(27)23-16-3-1-2-14(16)21(28)24-29)4-5-15(18)19-11-17(25-30-19)12-6-8-22-9-7-12/h4-11,14,16,19,25-26,29H,1-3H2,(H,23,27)(H,24,28)
InChIKeyCINZCAPRXMCJMP-UHFFFAOYSA-N
XLogP1.81
TPSA132.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
CID 87907364
3-hydroxy-N-[(1R,2S)-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 54672553
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913019
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide (CID 90854889) is 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide is O=C(NC1CCCC1C(=O)NO)c1ccc(C2C=C(c3ccncc3)NO2)c(O)c1.
What is the InChIKey of 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide?
The InChIKey is CINZCAPRXMCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c26-18-10-13(20(27)23-16-3-1-2-14(16)21(28)24-29)4-5-15(18)19-11-17(25-30-19)12-6-8-22-9-7-12/h4-11,14,16,19,25-26,29H,1-3H2,(H,23,27)(H,24,28).
What are the key properties of 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide?
3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide has a molecular weight of 410.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-4-yl-2,5-dihydro-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 90854889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).