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

C19H20N2O3 — CID 6622836

IUPACN-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)N(C)Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H20N2O3/c1-21(13-14-6-4-3-5-7-14)19(22)18-12-17(20-24-18)15-8-10-16(23-2)11-9-15/h3-11,18H,12-13H2,1-2H3
InChIKeyLZFBWKVPXLHZPZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds5

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

N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 6622836) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID6622836
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)N(C)Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H20N2O3/c1-21(13-14-6-4-3-5-7-14)19(22)18-12-17(20-24-18)15-8-10-16(23-2)11-9-15/h3-11,18H,12-13H2,1-2H3
InChIKeyLZFBWKVPXLHZPZ-UHFFFAOYSA-N
XLogP2.85
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-(4-methoxyphenyl)-N-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

Related Compounds

N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095630
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
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-(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
4-{[3-(3,4-Dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}morpholine
CID 3237717
2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
CID 57395871
2-benzyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475387
1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2879720
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 6622836) is N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)N(C)Cc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LZFBWKVPXLHZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(13-14-6-4-3-5-7-14)19(22)18-12-17(20-24-18)15-8-10-16(23-2)11-9-15/h3-11,18H,12-13H2,1-2H3.
What are the key properties of N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6622836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).