N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide

C13H10N4O2 — CID 104826426

IUPACN-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccon2)c2cccnc12
InChIInChI=1S/C13H10N4O2/c14-9-3-4-10(8-2-1-6-15-12(8)9)16-13(18)11-5-7-19-17-11/h1-7H,14H2,(H,16,18)
InChIKeyKKOMRPGOGXYXNN-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.06
Rot. Bonds2

About N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide

N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 104826426) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID104826426
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccon2)c2cccnc12
InChIInChI=1S/C13H10N4O2/c14-9-3-4-10(8-2-1-6-15-12(8)9)16-13(18)11-5-7-19-17-11/h1-7H,14H2,(H,16,18)
InChIKeyKKOMRPGOGXYXNN-UHFFFAOYSA-N
XLogP2.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104826457
N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
CID 10588215
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
CID 104826392
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
3-amino-4-(1,2-oxazole-3-carbonylamino)benzoic acid
CID 63117144
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide (CID 104826426) is N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide is Nc1ccc(NC(=O)c2ccon2)c2cccnc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KKOMRPGOGXYXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-9-3-4-10(8-2-1-6-15-12(8)9)16-13(18)11-5-7-19-17-11/h1-7H,14H2,(H,16,18).
What are the key properties of N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide?
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 104826426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).