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

C13H17N3O2 — CID 63349824

IUPAC3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCc1cccnc1-c1noc(CC(O)C(C)C)n1
InChIInChI=1S/C13H17N3O2/c1-8(2)10(17)7-11-15-13(16-18-11)12-9(3)5-4-6-14-12/h4-6,8,10,17H,7H2,1-3H3
InChIKeyJROGQTKXSUXMTK-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.00
Rot. Bonds4

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

3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63349824) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63349824
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCc1cccnc1-c1noc(CC(O)C(C)C)n1
InChIInChI=1S/C13H17N3O2/c1-8(2)10(17)7-11-15-13(16-18-11)12-9(3)5-4-6-14-12/h4-6,8,10,17H,7H2,1-3H3
InChIKeyJROGQTKXSUXMTK-UHFFFAOYSA-N
XLogP2.00
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-difluoro-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349199
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345690
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63345340
N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350562
2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106524273
N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350786
1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672051
1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845555
5-(azetidin-3-ylmethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 64611874
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 103445454
N-ethyl-4-methyl-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350874

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63349824) is 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is Cc1cccnc1-c1noc(CC(O)C(C)C)n1.
What is the InChIKey of 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is JROGQTKXSUXMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)10(17)7-11-15-13(16-18-11)12-9(3)5-4-6-14-12/h4-6,8,10,17H,7H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63349824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).