5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide

C23H25N5O6 — CID 126677702

IUPAC5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CCNC(=O)c2cc(-c3cccc(NC(=O)C4CCCCC4)c3)on2)on1
InChIInChI=1S/C23H25N5O6/c29-21(14-5-2-1-3-6-14)25-16-8-4-7-15(11-16)20-13-19(28-34-20)22(30)24-10-9-17-12-18(27-33-17)23(31)26-32/h4,7-8,11-14,32H,1-3,5-6,9-10H2,(H,24,30)(H,25,29)(H,26,31)
InChIKeyYXCTZWWALNJTTH-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.94
Rot. Bonds8

About 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide

5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide (PubChem CID 126677702) has the molecular formula C23H25N5O6 and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
PubChem CID126677702
Molecular FormulaC23H25N5O6
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Name5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CCNC(=O)c2cc(-c3cccc(NC(=O)C4CCCCC4)c3)on2)on1
InChIInChI=1S/C23H25N5O6/c29-21(14-5-2-1-3-6-14)25-16-8-4-7-15(11-16)20-13-19(28-34-20)22(30)24-10-9-17-12-18(27-33-17)23(31)26-32/h4,7-8,11-14,32H,1-3,5-6,9-10H2,(H,24,30)(H,25,29)(H,26,31)
InChIKeyYXCTZWWALNJTTH-UHFFFAOYSA-N
XLogP2.94
TPSA159.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
N-(4-amino-3-bromophenyl)cycloheptanecarboxamide
CID 82861556
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
N-[3-(1-methyltetrazol-5-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 155950743
2-(2-aminoethyl)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624288
3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 39899444
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide (CID 126677702) is 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide is O=C(NO)c1cc(CCNC(=O)c2cc(-c3cccc(NC(=O)C4CCCCC4)c3)on2)on1.
What is the InChIKey of 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The InChIKey is YXCTZWWALNJTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6/c29-21(14-5-2-1-3-6-14)25-16-8-4-7-15(11-16)20-13-19(28-34-20)22(30)24-10-9-17-12-18(27-33-17)23(31)26-32/h4,7-8,11-14,32H,1-3,5-6,9-10H2,(H,24,30)(H,25,29)(H,26,31).
What are the key properties of 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126677702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).