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

C19H20N2O4 — CID 3236601

IUPAC3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-15-7-3-13(4-8-15)12-20-19(22)18-11-17(21-25-18)14-5-9-16(24-2)10-6-14/h3-10,18H,11-12H2,1-2H3,(H,20,22)
InChIKeyBDJZDFVNWBMFJO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3236601) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3236601
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-15-7-3-13(4-8-15)12-20-19(22)18-11-17(21-25-18)14-5-9-16(24-2)10-6-14/h3-10,18H,11-12H2,1-2H3,(H,20,22)
InChIKeyBDJZDFVNWBMFJO-UHFFFAOYSA-N
XLogP2.51
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3236601) is 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(CNC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BDJZDFVNWBMFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-15-7-3-13(4-8-15)12-20-19(22)18-11-17(21-25-18)14-5-9-16(24-2)10-6-14/h3-10,18H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3236601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).