5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide

C23H27N3O4 — CID 49026163

IUPAC5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)on2)c1
InChIInChI=1S/C23H27N3O4/c1-5-26(2)15-17-8-6-7-16(11-17)14-24-23(27)20-13-22(30-25-20)19-12-18(28-3)9-10-21(19)29-4/h6-13H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyFZUQEDVELFKNMM-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.74
Rot. Bonds9

About 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 49026163) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID49026163
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)on2)c1
InChIInChI=1S/C23H27N3O4/c1-5-26(2)15-17-8-6-7-16(11-17)14-24-23(27)20-13-22(30-25-20)19-12-18(28-3)9-10-21(19)29-4/h6-13H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyFZUQEDVELFKNMM-UHFFFAOYSA-N
XLogP3.74
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48992159
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
N-benzyl-N-[2-(diethylamino)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070724
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 48987740
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51069936
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3236902
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 49026163) is 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide is CCN(C)Cc1cccc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)on2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FZUQEDVELFKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-26(2)15-17-8-6-7-16(11-17)14-24-23(27)20-13-22(30-25-20)19-12-18(28-3)9-10-21(19)29-4/h6-13H,5,14-15H2,1-4H3,(H,24,27).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 49026163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).