N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide

C16H9F3N2O2 — CID 7711262

IUPACN-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccccc1F
InChIInChI=1S/C16H9F3N2O2/c17-11-4-2-1-3-10(11)16(22)20-15-8-14(21-23-15)9-5-6-12(18)13(19)7-9/h1-8H,(H,20,22)
InChIKeyOUHWSTOBPOPYTI-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.01
Rot. Bonds3

About N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide

N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide (PubChem CID 7711262) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
PubChem CID7711262
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC NameN-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccccc1F
InChIInChI=1S/C16H9F3N2O2/c17-11-4-2-1-3-10(11)16(22)20-15-8-14(21-23-15)9-5-6-12(18)13(19)7-9/h1-8H,(H,20,22)
InChIKeyOUHWSTOBPOPYTI-UHFFFAOYSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
2-amino-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 10826519
3,4-difluoro-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143042
2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 3027130
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
The IUPAC name of N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide (CID 7711262) is N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide is O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccccc1F.
What is the InChIKey of N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
The InChIKey is OUHWSTOBPOPYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-11-4-2-1-3-10(11)16(22)20-15-8-14(21-23-15)9-5-6-12(18)13(19)7-9/h1-8H,(H,20,22).
What are the key properties of N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide has a molecular weight of 318.25 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide is sourced from PubChem (CID 7711262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).