N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide

C15H10N2O4 — CID 110388239

IUPACN-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2ocnc2c1
InChIInChI=1S/C15H10N2O4/c18-15(9-1-3-12-11(5-9)16-7-19-12)17-10-2-4-13-14(6-10)21-8-20-13/h1-7H,8H2,(H,17,18)
InChIKeyICAZFYLSUVIRER-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.81
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110388239) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
PubChem CID110388239
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2ocnc2c1
InChIInChI=1S/C15H10N2O4/c18-15(9-1-3-12-11(5-9)16-7-19-12)17-10-2-4-13-14(6-10)21-8-20-13/h1-7H,8H2,(H,17,18)
InChIKeyICAZFYLSUVIRER-UHFFFAOYSA-N
XLogP2.81
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(1,3-benzoxazol-5-yl)methanone
CID 110399436
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050216
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide (CID 110388239) is N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc2ocnc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is ICAZFYLSUVIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-15(9-1-3-12-11(5-9)16-7-19-12)17-10-2-4-13-14(6-10)21-8-20-13/h1-7H,8H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 2.81, 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)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).