2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide

C25H21FN2O3 — CID 142703568

IUPAC2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
SMILESCOCc1c(-c2cc(-c3ccc(C(N)=O)c(F)c3)no2)ccc(-c2ccccc2)c1C
InChIInChI=1S/C25H21FN2O3/c1-15-18(16-6-4-3-5-7-16)10-11-19(21(15)14-30-2)24-13-23(28-31-24)17-8-9-20(25(27)29)22(26)12-17/h3-13H,14H2,1-2H3,(H2,27,29)
InChIKeyCGOZEBLTFDSKII-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.37
Rot. Bonds6

About 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide

2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide (PubChem CID 142703568) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
PubChem CID142703568
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
SMILESCOCc1c(-c2cc(-c3ccc(C(N)=O)c(F)c3)no2)ccc(-c2ccccc2)c1C
InChIInChI=1S/C25H21FN2O3/c1-15-18(16-6-4-3-5-7-16)10-11-19(21(15)14-30-2)24-13-23(28-31-24)17-8-9-20(25(27)29)22(26)12-17/h3-13H,14H2,1-2H3,(H2,27,29)
InChIKeyCGOZEBLTFDSKII-UHFFFAOYSA-N
XLogP5.37
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenoxy]butanoic acid
CID 142703542
4-[5-[2,6-difluoro-3-(methoxymethyl)-4-phenylphenyl]-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703530
2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol
CID 142703553
2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol
CID 142703485
[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate
CID 142703616
N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
CID 142703431
methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
CID 142703451
4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703448
4-[5-[2-chloro-3-(methoxymethyl)-4-phenylphenyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
CID 140553958
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
2-fluoro-4-[5-[4-[2-(methoxymethyl)phenyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255478

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide (CID 142703568) is 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide is COCc1c(-c2cc(-c3ccc(C(N)=O)c(F)c3)no2)ccc(-c2ccccc2)c1C.
What is the InChIKey of 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide?
The InChIKey is CGOZEBLTFDSKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-15-18(16-6-4-3-5-7-16)10-11-19(21(15)14-30-2)24-13-23(28-31-24)17-8-9-20(25(27)29)22(26)12-17/h3-13H,14H2,1-2H3,(H2,27,29).
What are the key properties of 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide?
2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 142703568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).