5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide

C19H16N2O4 — CID 15988831

IUPAC5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H16N2O4/c1-2-12-5-3-4-6-14(12)20-19(22)15-10-17(25-21-15)13-7-8-16-18(9-13)24-11-23-16/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyZANHTWYIAJCREI-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.88
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988831) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID15988831
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H16N2O4/c1-2-12-5-3-4-6-14(12)20-19(22)15-10-17(25-21-15)13-7-8-16-18(9-13)24-11-23-16/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyZANHTWYIAJCREI-UHFFFAOYSA-N
XLogP3.88
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676224
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 17011861
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
CID 70749578

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide (CID 15988831) is 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide is CCc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZANHTWYIAJCREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-12-5-3-4-6-14(12)20-19(22)15-10-17(25-21-15)13-7-8-16-18(9-13)24-11-23-16/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).