3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H22N2O5 — CID 17095928

IUPAC3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(OC)c(OC)c3)=NO2)cc1
InChIInChI=1S/C20H22N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)19-11-16(22-27-19)14-6-9-17(25-2)18(10-14)26-3/h4-10,19H,11-12H2,1-3H3,(H,21,23)
InChIKeyWGKQZIZONNTIHU-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.52
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095928) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095928
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(OC)c(OC)c3)=NO2)cc1
InChIInChI=1S/C20H22N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)19-11-16(22-27-19)14-6-9-17(25-2)18(10-14)26-3/h4-10,19H,11-12H2,1-3H3,(H,21,23)
InChIKeyWGKQZIZONNTIHU-UHFFFAOYSA-N
XLogP2.52
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237190
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095693
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
(5S)-3-(2,5-dimethoxyphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503901
3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55644791
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503997
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491440
N-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095913

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095928) is 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(CNC(=O)C2CC(c3ccc(OC)c(OC)c3)=NO2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WGKQZIZONNTIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)19-11-16(22-27-19)14-6-9-17(25-2)18(10-14)26-3/h4-10,19H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).