N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide

C18H18N4O4 — CID 44574180

IUPACN-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCCCc1cc(C(=O)NO)no1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H18N4O4/c23-17(20-13-9-12-5-1-3-7-15(12)19-11-13)8-4-2-6-14-10-16(22-26-14)18(24)21-25/h1,3,5,7,9-11,25H,2,4,6,8H2,(H,20,23)(H,21,24)
InChIKeyXULHGXKCZPJAQQ-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.69
Rot. Bonds7

About N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide (PubChem CID 44574180) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide
PubChem CID44574180
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCCCc1cc(C(=O)NO)no1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H18N4O4/c23-17(20-13-9-12-5-1-3-7-15(12)19-11-13)8-4-2-6-14-10-16(22-26-14)18(24)21-25/h1,3,5,7,9-11,25H,2,4,6,8H2,(H,20,23)(H,21,24)
InChIKeyXULHGXKCZPJAQQ-UHFFFAOYSA-N
XLogP2.69
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide (CID 44574180) is N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide is O=C(CCCCc1cc(C(=O)NO)no1)Nc1cnc2ccccc2c1.
What is the InChIKey of N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XULHGXKCZPJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(20-13-9-12-5-1-3-7-15(12)19-11-13)8-4-2-6-14-10-16(22-26-14)18(24)21-25/h1,3,5,7,9-11,25H,2,4,6,8H2,(H,20,23)(H,21,24).
What are the key properties of N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[5-oxo-5-(quinolin-3-ylamino)pentyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44574180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).