N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C20H18N2O4 — CID 3232273

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCC2COc3ccccc3O2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-6-8-14(9-7-13)19-18(22-12-25-19)20(23)21-10-15-11-24-16-4-2-3-5-17(16)26-15/h2-9,12,15H,10-11H2,1H3,(H,21,23)
InChIKeyPYTWOSLNOIRYEB-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.22
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3232273) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3232273
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCC2COc3ccccc3O2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-6-8-14(9-7-13)19-18(22-12-25-19)20(23)21-10-15-11-24-16-4-2-3-5-17(16)26-15/h2-9,12,15H,10-11H2,1H3,(H,21,23)
InChIKeyPYTWOSLNOIRYEB-UHFFFAOYSA-N
XLogP3.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388170
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8571347
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 100576488
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)-4-ethoxybenzamide
CID 3131753
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiophene-2-carboxamide
CID 38212993

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 3232273) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NCC2COc3ccccc3O2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PYTWOSLNOIRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-6-8-14(9-7-13)19-18(22-12-25-19)20(23)21-10-15-11-24-16-4-2-3-5-17(16)26-15/h2-9,12,15H,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).