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

C20H20N2O5 — CID 3236665

IUPAC5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)16-11-18(27-22-16)14-6-9-17(25-2)19(10-14)26-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyLRJQULNBCGNMBF-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.30
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 3236665) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID3236665
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)16-11-18(27-22-16)14-6-9-17(25-2)19(10-14)26-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyLRJQULNBCGNMBF-UHFFFAOYSA-N
XLogP3.30
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 3236665) is 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LRJQULNBCGNMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)16-11-18(27-22-16)14-6-9-17(25-2)19(10-14)26-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).