N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

C25H29FN2O3 — CID 24606795

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F
InChIInChI=1S/C25H29FN2O3/c1-17(2)13-18-5-8-20(9-6-18)23-15-27-24(31-23)11-12-25(29)28(3)16-19-7-10-22(30-4)21(26)14-19/h5-10,14-15,17H,11-13,16H2,1-4H3
InChIKeyYXNHLUVDBQVAGP-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.28
Rot. Bonds9

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (PubChem CID 24606795) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
PubChem CID24606795
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F
InChIInChI=1S/C25H29FN2O3/c1-17(2)13-18-5-8-20(9-6-18)23-15-27-24(31-23)11-12-25(29)28(3)16-19-7-10-22(30-4)21(26)14-19/h5-10,14-15,17H,11-13,16H2,1-4H3
InChIKeyYXNHLUVDBQVAGP-UHFFFAOYSA-N
XLogP5.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18145565
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpropanamide
CID 55611874
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38087106
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 38072962
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 38229038
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29416428
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (CID 24606795) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is COc1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The InChIKey is YXNHLUVDBQVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-17(2)13-18-5-8-20(9-6-18)23-15-27-24(31-23)11-12-25(29)28(3)16-19-7-10-22(30-4)21(26)14-19/h5-10,14-15,17H,11-13,16H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide has a molecular weight of 424.52 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24606795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).