3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide

C20H18N2O4 — CID 42376774

IUPAC3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C20H18N2O4/c23-20(19-11-15(22-26-19)10-14-6-2-1-3-7-14)21-12-16-13-24-17-8-4-5-9-18(17)25-16/h1-9,11,16H,10,12-13H2,(H,21,23)/t16-/m1/s1
InChIKeyCEFBTCNSLAQJGS-MRXNPFEDSA-N
MW350.37 g/mol
LogP2.84
Rot. Bonds5

About 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide

3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 42376774) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID42376774
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C20H18N2O4/c23-20(19-11-15(22-26-19)10-14-6-2-1-3-7-14)21-12-16-13-24-17-8-4-5-9-18(17)25-16/h1-9,11,16H,10,12-13H2,(H,21,23)/t16-/m1/s1
InChIKeyCEFBTCNSLAQJGS-MRXNPFEDSA-N
XLogP2.84
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-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

2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 41088932
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120820643
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-4-oxopyran-2-carboxamide
CID 128963561
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-phenylethyl)urea
CID 51290930
3,5-dichloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 716345
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N'-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(2-phenylethyl)oxamide
CID 6593594
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide
CID 86940495
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 42376774) is 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cc2ccccc2)no1.
What is the InChIKey of 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is CEFBTCNSLAQJGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-20(19-11-15(22-26-19)10-14-6-2-1-3-7-14)21-12-16-13-24-17-8-4-5-9-18(17)25-16/h1-9,11,16H,10,12-13H2,(H,21,23)/t16-/m1/s1.
What are the key properties of 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42376774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).