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

C14H12N2O4 — CID 5308633

IUPACN-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(C2CC2)on1
InChIInChI=1S/C14H12N2O4/c17-14(10-6-12(20-16-10)8-1-2-8)15-9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,17)
InChIKeyVGYOISGUWZRGGA-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.53
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 5308633) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID5308633
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(C2CC2)on1
InChIInChI=1S/C14H12N2O4/c17-14(10-6-12(20-16-10)8-1-2-8)15-9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,17)
InChIKeyVGYOISGUWZRGGA-UHFFFAOYSA-N
XLogP2.53
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 5308633) is N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(C2CC2)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is VGYOISGUWZRGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-14(10-6-12(20-16-10)8-1-2-8)15-9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).