N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine

C11H19N3O2 — CID 65334460

IUPACN-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)CNc1nc(C2CCOCC2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-12-11-13-10(14-16-11)9-3-5-15-6-4-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyYBQCKOGAXHRFFC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.03
Rot. Bonds4

About N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine

N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 65334460) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID65334460
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)CNc1nc(C2CCOCC2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-12-11-13-10(14-16-11)9-3-5-15-6-4-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyYBQCKOGAXHRFFC-UHFFFAOYSA-N
XLogP2.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 113289869
3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
CID 64985459
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid
CID 83831304
3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 75399656
3-cyclopropyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,4-oxadiazol-5-amine
CID 95772861
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827051
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
3-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,2,4-oxadiazol-5-amine
CID 131005374
N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65329186
3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329360
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine (CID 65334460) is N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine is CC(C)CNc1nc(C2CCOCC2)no1.
What is the InChIKey of N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YBQCKOGAXHRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)7-12-11-13-10(14-16-11)9-3-5-15-6-4-9/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine?
N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 225.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65334460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).