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

C12H8N6O4 — CID 139676224

IUPAC5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C12H8N6O4/c19-11(13-12-14-17-18-15-12)7-4-9(22-16-7)6-1-2-8-10(3-6)21-5-20-8/h1-4H,5H2,(H2,13,14,15,17,18,19)
InChIKeyVBKGARNENMZUCM-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.84
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 139676224) has the molecular formula C12H8N6O4 and a molecular weight of 300.23 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID139676224
Molecular FormulaC12H8N6O4
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C12H8N6O4/c19-11(13-12-14-17-18-15-12)7-4-9(22-16-7)6-1-2-8-10(3-6)21-5-20-8/h1-4H,5H2,(H2,13,14,15,17,18,19)
InChIKeyVBKGARNENMZUCM-UHFFFAOYSA-N
XLogP0.84
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676219
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404
6-amino-N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 13267897
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide (CID 139676224) is 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VBKGARNENMZUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O4/c19-11(13-12-14-17-18-15-12)7-4-9(22-16-7)6-1-2-8-10(3-6)21-5-20-8/h1-4H,5H2,(H2,13,14,15,17,18,19).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139676224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).