N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine

C11H19N3O2 — CID 62595608

IUPACN-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)CNc1nc(CC2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-12-11-13-10(14-16-11)6-9-4-3-5-15-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyKQSDXCGADJJHPT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.86
Rot. Bonds5

About N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine

N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595608) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595608
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)CNc1nc(CC2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-12-11-13-10(14-16-11)6-9-4-3-5-15-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyKQSDXCGADJJHPT-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 62595608) is N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine is CC(C)CNc1nc(CC2CCCO2)no1.
What is the InChIKey of N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is KQSDXCGADJJHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)7-12-11-13-10(14-16-11)6-9-4-3-5-15-9/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 225.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).