2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide

C18H13F3N2O2 — CID 52855097

IUPAC2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C18H13F3N2O2/c19-12-3-1-11(2-4-12)18-23-14(10-25-18)7-8-22-17(24)15-9-13(20)5-6-16(15)21/h1-6,9-10H,7-8H2,(H,22,24)
InChIKeyRPGXXVRZSWFTKG-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.73
Rot. Bonds5

About 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide

2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide (PubChem CID 52855097) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
PubChem CID52855097
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C18H13F3N2O2/c19-12-3-1-11(2-4-12)18-23-14(10-25-18)7-8-22-17(24)15-9-13(20)5-6-16(15)21/h1-6,9-10H,7-8H2,(H,22,24)
InChIKeyRPGXXVRZSWFTKG-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

Analyze 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4-dimethylbenzamide
CID 154805699
4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 146121961
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
1-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 51133166
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 162564621
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455115
3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000027
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 131960865
(3S)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 97184194

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide (CID 52855097) is 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide is O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The InChIKey is RPGXXVRZSWFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-12-3-1-11(2-4-12)18-23-14(10-25-18)7-8-22-17(24)15-9-13(20)5-6-16(15)21/h1-6,9-10H,7-8H2,(H,22,24).
What are the key properties of 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
2,5-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 2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 52855097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).