N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H14N2O4 — CID 5085061

IUPACN-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCC2
InChIInChI=1S/C15H14N2O4/c18-15(14-10-3-1-2-4-11(10)21-17-14)16-9-5-6-12-13(7-9)20-8-19-12/h5-7H,1-4,8H2,(H,16,18)
InChIKeyGOJLVKDFCNAYBB-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.53
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 5085061) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID5085061
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCC2
InChIInChI=1S/C15H14N2O4/c18-15(14-10-3-1-2-4-11(10)21-17-14)16-9-5-6-12-13(7-9)20-8-19-12/h5-7H,1-4,8H2,(H,16,18)
InChIKeyGOJLVKDFCNAYBB-UHFFFAOYSA-N
XLogP2.53
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
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)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 5085061) is N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is GOJLVKDFCNAYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15(14-10-3-1-2-4-11(10)21-17-14)16-9-5-6-12-13(7-9)20-8-19-12/h5-7H,1-4,8H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.53, 2 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)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 5085061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).