2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide

C18H13F3N2O2 — CID 146122387

IUPAC2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1F
InChIInChI=1S/C18H13F3N2O2/c19-12-6-4-11(5-7-12)18-23-13(10-25-18)8-9-22-17(24)14-2-1-3-15(20)16(14)21/h1-7,10H,8-9H2,(H,22,24)
InChIKeyONOBZIBPRVZFFF-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.73
Rot. Bonds5

About 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide

2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide (PubChem CID 146122387) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
PubChem CID146122387
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1F
InChIInChI=1S/C18H13F3N2O2/c19-12-6-4-11(5-7-12)18-23-13(10-25-18)8-9-22-17(24)14-2-1-3-15(20)16(14)21/h1-7,10H,8-9H2,(H,22,24)
InChIKeyONOBZIBPRVZFFF-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4-dimethylbenzamide
CID 154805699
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 146121961
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
1-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 51133166
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191
3-[2-[[N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634257
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125052
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455115

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide (CID 146122387) is 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide is O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The InChIKey is ONOBZIBPRVZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-12-6-4-11(5-7-12)18-23-13(10-25-18)8-9-22-17(24)14-2-1-3-15(20)16(14)21/h1-7,10H,8-9H2,(H,22,24).
What are the key properties of 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide has a molecular weight of 346.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 146122387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).