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

C19H16N2O4 — CID 3237986

IUPAC5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H16N2O4/c22-19(20-9-8-13-4-2-1-3-5-13)15-11-17(25-21-15)14-6-7-16-18(10-14)24-12-23-16/h1-7,10-11H,8-9,12H2,(H,20,22)
InChIKeyZXHYVAYUSQNTFI-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds5

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

5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3237986) 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-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID3237986
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H16N2O4/c22-19(20-9-8-13-4-2-1-3-5-13)15-11-17(25-21-15)14-6-7-16-18(10-14)24-12-23-16/h1-7,10-11H,8-9,12H2,(H,20,22)
InChIKeyZXHYVAYUSQNTFI-UHFFFAOYSA-N
XLogP3.04
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 3237986) is 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is O=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZXHYVAYUSQNTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-19(20-9-8-13-4-2-1-3-5-13)15-11-17(25-21-15)14-6-7-16-18(10-14)24-12-23-16/h1-7,10-11H,8-9,12H2,(H,20,22).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.04, 5 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-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3237986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).