2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C13H14ClN3O2 — CID 103445445

IUPAC2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1CCCCC1c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c14-9-5-3-7-15-11(9)12-16-13(19-17-12)8-4-1-2-6-10(8)18/h3,5,7-8,10,18H,1-2,4,6H2
InChIKeyGERGXZGFRMENKU-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.80
Rot. Bonds2

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

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 103445445) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID103445445
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1CCCCC1c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c14-9-5-3-7-15-11(9)12-16-13(19-17-12)8-4-1-2-6-10(8)18/h3,5,7-8,10,18H,1-2,4,6H2
InChIKeyGERGXZGFRMENKU-UHFFFAOYSA-N
XLogP2.80
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 79780596
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474780
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63346258
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 103445439
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201224
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 106849964
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 103445450
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 63349196

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 103445445) is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is OC1CCCCC1c1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is GERGXZGFRMENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-9-5-3-7-15-11(9)12-16-13(19-17-12)8-4-1-2-6-10(8)18/h3,5,7-8,10,18H,1-2,4,6H2.
What are the key properties of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 279.73 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 103445445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).