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

C9H17N3O2 — CID 107914968

IUPAC3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
SMILESCc1nnc(CNC(CO)C(C)C)o1
InChIInChI=1S/C9H17N3O2/c1-6(2)8(5-13)10-4-9-12-11-7(3)14-9/h6,8,10,13H,4-5H2,1-3H3
InChIKeyFIGGHXXCZQEJNE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.48
Rot. Bonds5

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

3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol (PubChem CID 107914968) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
PubChem CID107914968
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
SMILESCc1nnc(CNC(CO)C(C)C)o1
InChIInChI=1S/C9H17N3O2/c1-6(2)8(5-13)10-4-9-12-11-7(3)14-9/h6,8,10,13H,4-5H2,1-3H3
InChIKeyFIGGHXXCZQEJNE-UHFFFAOYSA-N
XLogP0.48
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol (CID 107914968) is 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol is Cc1nnc(CNC(CO)C(C)C)o1.
What is the InChIKey of 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
The InChIKey is FIGGHXXCZQEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)8(5-13)10-4-9-12-11-7(3)14-9/h6,8,10,13H,4-5H2,1-3H3.
What are the key properties of 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol has a molecular weight of 199.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 107914968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).