N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide

C10H6F2N2O2 — CID 110693698

IUPACN-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccno1
InChIInChI=1S/C10H6F2N2O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13-16-9/h1-5H,(H,14,15)
InChIKeyKSDUEYAHQYXGSU-UHFFFAOYSA-N
MW224.17 g/mol
LogP2.21
Rot. Bonds2

About N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide

N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 110693698) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID110693698
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC NameN-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccno1
InChIInChI=1S/C10H6F2N2O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13-16-9/h1-5H,(H,14,15)
InChIKeyKSDUEYAHQYXGSU-UHFFFAOYSA-N
XLogP2.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
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3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide (CID 110693698) is N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccno1.
What is the InChIKey of N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is KSDUEYAHQYXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13-16-9/h1-5H,(H,14,15).
What are the key properties of N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 224.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110693698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).