N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide

C8H13N3O2 — CID 18618315

IUPACN-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1ncon1
InChIInChI=1S/C8H13N3O2/c1-6(2)3-4-9-8(12)7-10-5-13-11-7/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyUBRUSLYACWGZEE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.85
Rot. Bonds4

About N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide

N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 18618315) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID18618315
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1ncon1
InChIInChI=1S/C8H13N3O2/c1-6(2)3-4-9-8(12)7-10-5-13-11-7/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyUBRUSLYACWGZEE-UHFFFAOYSA-N
XLogP0.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide (CID 18618315) is N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide is CC(C)CCNC(=O)c1ncon1.
What is the InChIKey of N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is UBRUSLYACWGZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)3-4-9-8(12)7-10-5-13-11-7/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide?
N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 18618315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).