3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol

C12H15N3O2 — CID 63345490

IUPAC3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(-c2ccncc2)no1)C(C)O
InChIInChI=1S/C12H15N3O2/c1-3-10(8(2)16)12-14-11(15-17-12)9-4-6-13-7-5-9/h4-8,10,16H,3H2,1-2H3
InChIKeyZISYJGZXJZLAOG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds4

About 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol

3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol (PubChem CID 63345490) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
PubChem CID63345490
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(-c2ccncc2)no1)C(C)O
InChIInChI=1S/C12H15N3O2/c1-3-10(8(2)16)12-14-11(15-17-12)9-4-6-13-7-5-9/h4-8,10,16H,3H2,1-2H3
InChIKeyZISYJGZXJZLAOG-UHFFFAOYSA-N
XLogP2.01
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65198120
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396
3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 66425897
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The IUPAC name of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol (CID 63345490) is 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol is CCC(c1nc(-c2ccncc2)no1)C(C)O.
What is the InChIKey of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The InChIKey is ZISYJGZXJZLAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-10(8(2)16)12-14-11(15-17-12)9-4-6-13-7-5-9/h4-8,10,16H,3H2,1-2H3.
What are the key properties of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol has a molecular weight of 233.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 63345490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).