N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide

C13H9FN4O2 — CID 10588215

IUPACN-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
SMILESNc1c(NC(=O)c2ccon2)cnc2c(F)cccc12
InChIInChI=1S/C13H9FN4O2/c14-8-3-1-2-7-11(15)10(6-16-12(7)8)17-13(19)9-4-5-20-18-9/h1-6H,(H2,15,16)(H,17,19)
InChIKeyKQTZISBXUSUPPY-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.20
Rot. Bonds2

About N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide

N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 10588215) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID10588215
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC NameN-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
SMILESNc1c(NC(=O)c2ccon2)cnc2c(F)cccc12
InChIInChI=1S/C13H9FN4O2/c14-8-3-1-2-7-11(15)10(6-16-12(7)8)17-13(19)9-4-5-20-18-9/h1-6H,(H2,15,16)(H,17,19)
InChIKeyKQTZISBXUSUPPY-UHFFFAOYSA-N
XLogP2.20
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-7-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
CID 10635873
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 103274989
N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 103789487
3-amino-4-(1,2-oxazole-3-carbonylamino)benzoic acid
CID 63117144
N-(4-bromo-3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 65430131
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
4-acetamido-8-fluoroquinoline-3-carboxylic acid
CID 102543427
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 126491241

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide (CID 10588215) is N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide is Nc1c(NC(=O)c2ccon2)cnc2c(F)cccc12.
What is the InChIKey of N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KQTZISBXUSUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-8-3-1-2-7-11(15)10(6-16-12(7)8)17-13(19)9-4-5-20-18-9/h1-6H,(H2,15,16)(H,17,19).
What are the key properties of N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 272.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-8-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 10588215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).