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

C22H23FN2O4 — CID 18145565

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C22H23FN2O4/c1-25(14-15-4-9-18(27-2)19(12-15)28-3)22(26)11-10-21-24-13-20(29-21)16-5-7-17(23)8-6-16/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyVEQBFWQZWDXCRP-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.09
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 18145565) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID18145565
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C22H23FN2O4/c1-25(14-15-4-9-18(27-2)19(12-15)28-3)22(26)11-10-21-24-13-20(29-21)16-5-7-17(23)8-6-16/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyVEQBFWQZWDXCRP-UHFFFAOYSA-N
XLogP4.09
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpropanamide
CID 55611874
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24606795
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
CID 18111620
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 38229038
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 33126695
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 18145565) is N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is VEQBFWQZWDXCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-25(14-15-4-9-18(27-2)19(12-15)28-3)22(26)11-10-21-24-13-20(29-21)16-5-7-17(23)8-6-16/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 398.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 18145565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).