5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide

C15H23N3O4 — CID 44574207

IUPAC5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(CCCCc1cc(C(=O)NO)no1)NC1CCCCC1
InChIInChI=1S/C15H23N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h10-11,21H,1-9H2,(H,16,19)(H,17,20)
InChIKeyUELDPZVVXAGZLE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.96
Rot. Bonds7

About 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide

5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide (PubChem CID 44574207) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide
PubChem CID44574207
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(CCCCc1cc(C(=O)NO)no1)NC1CCCCC1
InChIInChI=1S/C15H23N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h10-11,21H,1-9H2,(H,16,19)(H,17,20)
InChIKeyUELDPZVVXAGZLE-UHFFFAOYSA-N
XLogP1.96
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide (CID 44574207) is 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide is O=C(CCCCc1cc(C(=O)NO)no1)NC1CCCCC1.
What is the InChIKey of 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The InChIKey is UELDPZVVXAGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h10-11,21H,1-9H2,(H,16,19)(H,17,20).
What are the key properties of 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclohexylamino)-5-oxopentyl]-N-hydroxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44574207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).