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

C11H16N4O2 — CID 65198120

IUPAC3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(-c2ccn(C)n2)no1)C(C)O
InChIInChI=1S/C11H16N4O2/c1-4-8(7(2)16)11-12-10(14-17-11)9-5-6-15(3)13-9/h5-8,16H,4H2,1-3H3
InChIKeyQUZGPCCAYARWEZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.34
Rot. Bonds4

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

3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 65198120) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID65198120
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(-c2ccn(C)n2)no1)C(C)O
InChIInChI=1S/C11H16N4O2/c1-4-8(7(2)16)11-12-10(14-17-11)9-5-6-15(3)13-9/h5-8,16H,4H2,1-3H3
InChIKeyQUZGPCCAYARWEZ-UHFFFAOYSA-N
XLogP1.34
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65197551
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65197757
(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915767
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 65198120) is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(-c2ccn(C)n2)no1)C(C)O.
What is the InChIKey of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is QUZGPCCAYARWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-8(7(2)16)11-12-10(14-17-11)9-5-6-15(3)13-9/h5-8,16H,4H2,1-3H3.
What are the key properties of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 236.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 65198120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).