N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C21H19FN2O4 — CID 110410710

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1cccc(-c2nc(CC(=O)NCC(=O)c3ccc(F)cc3)c(C)o2)c1
InChIInChI=1S/C21H19FN2O4/c1-13-18(24-21(28-13)15-4-3-5-17(10-15)27-2)11-20(26)23-12-19(25)14-6-8-16(22)9-7-14/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyDJUPMCJPKAHHMZ-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110410710) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110410710
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1cccc(-c2nc(CC(=O)NCC(=O)c3ccc(F)cc3)c(C)o2)c1
InChIInChI=1S/C21H19FN2O4/c1-13-18(24-21(28-13)15-4-3-5-17(10-15)27-2)11-20(26)23-12-19(25)14-6-8-16(22)9-7-14/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyDJUPMCJPKAHHMZ-UHFFFAOYSA-N
XLogP3.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110607521
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356245
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
CID 110415136
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110353186
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-[2-(4-fluorophenyl)-2-oxoethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619541

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110410710) is N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1cccc(-c2nc(CC(=O)NCC(=O)c3ccc(F)cc3)c(C)o2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is DJUPMCJPKAHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13-18(24-21(28-13)15-4-3-5-17(10-15)27-2)11-20(26)23-12-19(25)14-6-8-16(22)9-7-14/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 382.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110410710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).