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

C21H21FN2O4 — CID 110426034

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cc2nc(-c3cccc(F)c3)oc2C)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-13-17(23-21(28-13)14-6-5-7-15(22)10-14)12-20(25)24(2)16-8-9-18(26-3)19(11-16)27-4/h5-11H,12H2,1-4H3
InChIKeyVJZLGUQEHPKTKG-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.01
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide (PubChem CID 110426034) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide
PubChem CID110426034
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cc2nc(-c3cccc(F)c3)oc2C)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-13-17(23-21(28-13)14-6-5-7-15(22)10-14)12-20(25)24(2)16-8-9-18(26-3)19(11-16)27-4/h5-11H,12H2,1-4H3
InChIKeyVJZLGUQEHPKTKG-UHFFFAOYSA-N
XLogP4.01
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110627062
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611791
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide
CID 75420147
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356245
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24676962
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371709

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide (CID 110426034) is N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide is COc1ccc(N(C)C(=O)Cc2nc(-c3cccc(F)c3)oc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide?
The InChIKey is VJZLGUQEHPKTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-13-17(23-21(28-13)14-6-5-7-15(22)10-14)12-20(25)24(2)16-8-9-18(26-3)19(11-16)27-4/h5-11H,12H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide has a molecular weight of 384.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 110426034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).