5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C11H16N6O2 — CID 91835046

IUPAC5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCn2cnnn2)no1
InChIInChI=1S/C11H16N6O2/c1-8(2)5-9-6-10(14-19-9)11(18)12-3-4-17-7-13-15-16-17/h6-8H,3-5H2,1-2H3,(H,12,18)
InChIKeyHSBJFFWOCJSPSB-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.29
Rot. Bonds6

About 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 91835046) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID91835046
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCn2cnnn2)no1
InChIInChI=1S/C11H16N6O2/c1-8(2)5-9-6-10(14-19-9)11(18)12-3-4-17-7-13-15-16-17/h6-8H,3-5H2,1-2H3,(H,12,18)
InChIKeyHSBJFFWOCJSPSB-UHFFFAOYSA-N
XLogP0.29
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 91835046) is 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCCn2cnnn2)no1.
What is the InChIKey of 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HSBJFFWOCJSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-8(2)5-9-6-10(14-19-9)11(18)12-3-4-17-7-13-15-16-17/h6-8H,3-5H2,1-2H3,(H,12,18).
What are the key properties of 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[2-(tetrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).