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

C8H15N3O2 — CID 61014735

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-3-7(12)4-9-5-8-10-6(2)11-13-8/h7,9,12H,3-5H2,1-2H3
InChIKeyXHXZMXHVYKQSAE-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.24
Rot. Bonds5

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol (PubChem CID 61014735) 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)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
PubChem CID61014735
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1nc(C)no1
InChIInChI=1S/C8H15N3O2/c1-3-7(12)4-9-5-8-10-6(2)11-13-8/h7,9,12H,3-5H2,1-2H3
InChIKeyXHXZMXHVYKQSAE-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

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Related Compounds

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61013891
3,3,3-trifluoro-2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]propanenitrile
CID 103367094
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54903426
N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide
CID 77027890
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
1-(2,5-dichlorophenoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014593
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 61014998
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 61014597
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
CID 106419650
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol (CID 61014735) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol is CCC(O)CNCc1nc(C)no1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol?
The InChIKey is XHXZMXHVYKQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-7(12)4-9-5-8-10-6(2)11-13-8/h7,9,12H,3-5H2,1-2H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol?
1-[(3-methyl-1,2,4-oxadiazol-5-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 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol is sourced from PubChem (CID 61014735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).