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

C8H15N3O2 — CID 102677492

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-3-4-7(12)5-9-8-10-6(2)11-13-8/h7,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyNROHSBCGVVYIBF-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.95
Rot. Bonds5

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol (PubChem CID 102677492) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
PubChem CID102677492
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-3-4-7(12)5-9-8-10-6(2)11-13-8/h7,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyNROHSBCGVVYIBF-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-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

3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 106659811
3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
CID 106659529
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 115691842
methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-2-ol
CID 114383247
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
1-[(6-amino-1,3-benzoxazol-2-yl)amino]pentan-2-ol
CID 113495532
2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 106659771
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 59777384
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol (CID 102677492) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol is CCCC(O)CNc1nc(C)no1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol?
The InChIKey is NROHSBCGVVYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-4-7(12)5-9-8-10-6(2)11-13-8/h7,12H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol has a molecular weight of 185.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 102677492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).