N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide

C13H9FN4O2 — CID 10754632

IUPACN-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
SMILESNc1c(NC(=O)c2ccon2)cnc2cccc(F)c12
InChIInChI=1S/C13H9FN4O2/c14-7-2-1-3-8-11(7)12(15)10(6-16-8)17-13(19)9-4-5-20-18-9/h1-6H,(H2,15,16)(H,17,19)
InChIKeyKMCBVUCAWUTPAT-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.20
Rot. Bonds2

About N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide

N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 10754632) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID10754632
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC NameN-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide
SMILESNc1c(NC(=O)c2ccon2)cnc2cccc(F)c12
InChIInChI=1S/C13H9FN4O2/c14-7-2-1-3-8-11(7)12(15)10(6-16-8)17-13(19)9-4-5-20-18-9/h1-6H,(H2,15,16)(H,17,19)
InChIKeyKMCBVUCAWUTPAT-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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide (CID 10754632) is N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide is Nc1c(NC(=O)c2ccon2)cnc2cccc(F)c12.
What is the InChIKey of N-(4-amino-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KMCBVUCAWUTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-7-2-1-3-8-11(7)12(15)10(6-16-8)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-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide?
N-(4-amino-5-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-5-fluoroquinolin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 10754632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).