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

C8H15N3O2 — CID 107911665

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
SMILESCc1nc(CNCCC(C)O)no1
InChIInChI=1S/C8H15N3O2/c1-6(12)3-4-9-5-8-10-7(2)13-11-8/h6,9,12H,3-5H2,1-2H3
InChIKeyDSKHQNHZTLBFMV-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.24
Rot. Bonds5

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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol (PubChem CID 107911665) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
PubChem CID107911665
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
SMILESCc1nc(CNCCC(C)O)no1
InChIInChI=1S/C8H15N3O2/c1-6(12)3-4-9-5-8-10-7(2)13-11-8/h6,9,12H,3-5H2,1-2H3
InChIKeyDSKHQNHZTLBFMV-UHFFFAOYSA-N
XLogP0.24
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 107911467
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
CID 107911873
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol (CID 107911665) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol is Cc1nc(CNCCC(C)O)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol?
The InChIKey is DSKHQNHZTLBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(12)3-4-9-5-8-10-7(2)13-11-8/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol has a molecular weight of 185.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol is sourced from PubChem (CID 107911665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).