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

C8H15N3O2 — CID 106659771

IUPAC2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
SMILESCCC(C)(CO)Nc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-4-8(3,5-12)10-7-9-6(2)11-13-7/h12H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyUOERSHCXFGLVMO-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.95
Rot. Bonds4

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

2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol (PubChem CID 106659771) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
PubChem CID106659771
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
SMILESCCC(C)(CO)Nc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-4-8(3,5-12)10-7-9-6(2)11-13-7/h12H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyUOERSHCXFGLVMO-UHFFFAOYSA-N
XLogP0.95
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
CID 102677492
3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 106659811
2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115750244
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006717
methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-oxadiazol-5-yl)propane-1,3-diamine
CID 106659530
2-methyl-2-(2,3,4,5,6-pentafluoroanilino)butan-1-ol
CID 64556841
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 64558196
3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
CID 106659529
N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659816
3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine
CID 103519965
2-[(6-hydrazinylpyrazin-2-yl)amino]-2-methylbutan-1-ol
CID 80918012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol (CID 106659771) is 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol is CCC(C)(CO)Nc1nc(C)no1.
What is the InChIKey of 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The InChIKey is UOERSHCXFGLVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-8(3,5-12)10-7-9-6(2)11-13-7/h12H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol has a molecular weight of 185.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 106659771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).