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

C14H12N2O4 — CID 3423164

IUPAC5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C14H12N2O4/c1-2-5-15-14(17)10-7-12(20-16-10)9-3-4-11-13(6-9)19-8-18-11/h2-4,6-7H,1,5,8H2,(H,15,17)
InChIKeyMEPGBOGCHLVVGU-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.99
Rot. Bonds4

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

5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide (PubChem CID 3423164) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
PubChem CID3423164
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C14H12N2O4/c1-2-5-15-14(17)10-7-12(20-16-10)9-3-4-11-13(6-9)19-8-18-11/h2-4,6-7H,1,5,8H2,(H,15,17)
InChIKeyMEPGBOGCHLVVGU-UHFFFAOYSA-N
XLogP1.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide (CID 3423164) is 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide is C=CCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The InChIKey is MEPGBOGCHLVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-2-5-15-14(17)10-7-12(20-16-10)9-3-4-11-13(6-9)19-8-18-11/h2-4,6-7H,1,5,8H2,(H,15,17).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.99, 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-prop-2-enyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3423164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).