3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol

C10H19N3O2 — CID 65111649

IUPAC3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1nonc1C
InChIInChI=1S/C10H19N3O2/c1-4-10(14,5-2)7-11-6-9-8(3)12-15-13-9/h11,14H,4-7H2,1-3H3
InChIKeyBHEVVDJGOKLAEF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.02
Rot. Bonds6

About 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol

3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol (PubChem CID 65111649) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
PubChem CID65111649
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1nonc1C
InChIInChI=1S/C10H19N3O2/c1-4-10(14,5-2)7-11-6-9-8(3)12-15-13-9/h11,14H,4-7H2,1-3H3
InChIKeyBHEVVDJGOKLAEF-UHFFFAOYSA-N
XLogP1.02
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol (CID 65111649) is 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1nonc1C.
What is the InChIKey of 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is BHEVVDJGOKLAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-10(14,5-2)7-11-6-9-8(3)12-15-13-9/h11,14H,4-7H2,1-3H3.
What are the key properties of 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol?
3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 213.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65111649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).