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

C9H17N3O2 — CID 106131592

IUPAC5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol
SMILESCc1nonc1CNCCCC(C)O
InChIInChI=1S/C9H17N3O2/c1-7(13)4-3-5-10-6-9-8(2)11-14-12-9/h7,10,13H,3-6H2,1-2H3
InChIKeyQXQNUOIHLJAYHH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.63
Rot. Bonds6

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

5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol (PubChem CID 106131592) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol
PubChem CID106131592
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol
SMILESCc1nonc1CNCCCC(C)O
InChIInChI=1S/C9H17N3O2/c1-7(13)4-3-5-10-6-9-8(2)11-14-12-9/h7,10,13H,3-6H2,1-2H3
InChIKeyQXQNUOIHLJAYHH-UHFFFAOYSA-N
XLogP0.63
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 66170575
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 107302795
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol
CID 106131673
3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
CID 65111649
3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol
CID 106146861
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
5-(prop-2-ynylamino)pentan-2-ol
CID 106122641
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol (CID 106131592) is 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol is Cc1nonc1CNCCCC(C)O.
What is the InChIKey of 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol?
The InChIKey is QXQNUOIHLJAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)4-3-5-10-6-9-8(2)11-14-12-9/h7,10,13H,3-6H2,1-2H3.
What are the key properties of 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol?
5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol has a molecular weight of 199.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).