5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide

C24H24N2O4 — CID 86878680

IUPAC5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O4/c1-24(2,17-10-11-18-19(14-17)29-13-12-28-18)26-22(27)20-21(15-8-9-15)30-23(25-20)16-6-4-3-5-7-16/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,26,27)
InChIKeyNRAGWPJROUXPJQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.66
Rot. Bonds5

About 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86878680) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86878680
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O4/c1-24(2,17-10-11-18-19(14-17)29-13-12-28-18)26-22(27)20-21(15-8-9-15)30-23(25-20)16-6-4-3-5-7-16/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,26,27)
InChIKeyNRAGWPJROUXPJQ-UHFFFAOYSA-N
XLogP4.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841134
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 111426071
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840963
5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70164829
5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841160
5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 86967765
5-cyclopropyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86875245
5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 98293867

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 86878680) is 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide is CC(C)(NC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is NRAGWPJROUXPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-24(2,17-10-11-18-19(14-17)29-13-12-28-18)26-22(27)20-21(15-8-9-15)30-23(25-20)16-6-4-3-5-7-16/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,26,27).
What are the key properties of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86878680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).