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

C26H23FN2O4 — CID 133150106

IUPAC2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)c3ccc(F)cc3)o2)c(OC)c1
InChIInChI=1S/C26H23FN2O4/c1-16(17-8-10-18(27)11-9-17)29-25(30)20-6-4-5-7-21(20)26-28-15-24(33-26)22-13-12-19(31-2)14-23(22)32-3/h4-16H,1-3H3,(H,29,30)
InChIKeyGMIASEAYCNWTSF-UHFFFAOYSA-N
MW446.48 g/mol
LogP5.66
Rot. Bonds7

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

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 133150106) has the molecular formula C26H23FN2O4 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID133150106
Molecular FormulaC26H23FN2O4
Molecular Weight446.48 g/mol
Exact Mass446.16
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)c3ccc(F)cc3)o2)c(OC)c1
InChIInChI=1S/C26H23FN2O4/c1-16(17-8-10-18(27)11-9-17)29-25(30)20-6-4-5-7-21(20)26-28-15-24(33-26)22-13-12-19(31-2)14-23(22)32-3/h4-16H,1-3H3,(H,29,30)
InChIKeyGMIASEAYCNWTSF-UHFFFAOYSA-N
XLogP5.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 133150118
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
CID 100501417
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100501410
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 133150106) is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)c3ccc(F)cc3)o2)c(OC)c1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is GMIASEAYCNWTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4/c1-16(17-8-10-18(27)11-9-17)29-25(30)20-6-4-5-7-21(20)26-28-15-24(33-26)22-13-12-19(31-2)14-23(22)32-3/h4-16H,1-3H3,(H,29,30).
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 446.48 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 133150106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).