N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

C13H8N4O5 — CID 42477526

IUPACN-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H8N4O5/c18-11(7-1-2-8-10(5-7)20-6-19-8)15-13-17-16-12(21-13)9-3-4-14-22-9/h1-5H,6H2,(H,15,17,18)
InChIKeyOVRRMWCWMNYUPN-UHFFFAOYSA-N
MW300.23 g/mol
LogP1.71
Rot. Bonds3

About N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42477526) has the molecular formula C13H8N4O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID42477526
Molecular FormulaC13H8N4O5
Molecular Weight300.23 g/mol
Exact Mass300.05
IUPAC NameN-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H8N4O5/c18-11(7-1-2-8-10(5-7)20-6-19-8)15-13-17-16-12(21-13)9-3-4-14-22-9/h1-5H,6H2,(H,15,17,18)
InChIKeyOVRRMWCWMNYUPN-UHFFFAOYSA-N
XLogP1.71
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959775
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477453
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 43977817
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959645
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959643
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861371
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477459
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 16823859
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CID 42477526) is N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1nnc(-c2ccno2)o1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OVRRMWCWMNYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O5/c18-11(7-1-2-8-10(5-7)20-6-19-8)15-13-17-16-12(21-13)9-3-4-14-22-9/h1-5H,6H2,(H,15,17,18).
What are the key properties of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42477526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).