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

C19H20N2O4 — CID 3236325

IUPAC3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3cccc(OC)c3)=NO2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-15-8-6-13(7-9-15)12-20-19(22)18-11-17(21-25-18)14-4-3-5-16(10-14)24-2/h3-10,18H,11-12H2,1-2H3,(H,20,22)
InChIKeyLBWXZAGNNOVAFH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds6

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

3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3236325) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3236325
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3cccc(OC)c3)=NO2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-15-8-6-13(7-9-15)12-20-19(22)18-11-17(21-25-18)14-4-3-5-16(10-14)24-2/h3-10,18H,11-12H2,1-2H3,(H,20,22)
InChIKeyLBWXZAGNNOVAFH-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

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2978784
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237052
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239086
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239645
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601
N-(4-fluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3237190
N-isopropyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3238224
N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3240617
3-(2,5-dimethoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3241835

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3236325) is 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(CNC(=O)C2CC(c3cccc(OC)c3)=NO2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LBWXZAGNNOVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-15-8-6-13(7-9-15)12-20-19(22)18-11-17(21-25-18)14-4-3-5-16(10-14)24-2/h3-10,18H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-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-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3236325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).