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

C12H12ClN3O2 — CID 103445439

IUPAC2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
SMILESOC(Cc1nc(-c2ncccc2Cl)no1)C1CC1
InChIInChI=1S/C12H12ClN3O2/c13-8-2-1-5-14-11(8)12-15-10(18-16-12)6-9(17)7-3-4-7/h1-2,5,7,9,17H,3-4,6H2
InChIKeyLXQSASSWQMJYOA-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.10
Rot. Bonds4

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

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol (PubChem CID 103445439) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
PubChem CID103445439
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
SMILESOC(Cc1nc(-c2ncccc2Cl)no1)C1CC1
InChIInChI=1S/C12H12ClN3O2/c13-8-2-1-5-14-11(8)12-15-10(18-16-12)6-9(17)7-3-4-7/h1-2,5,7,9,17H,3-4,6H2
InChIKeyLXQSASSWQMJYOA-UHFFFAOYSA-N
XLogP2.10
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 103445450
1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 113329705
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 103445454
2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 66153346
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103442754
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103442844
[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 103445508
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 103445464
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103445445
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 55200861

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol (CID 103445439) is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol.
What is the SMILES notation for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The canonical SMILES for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol is OC(Cc1nc(-c2ncccc2Cl)no1)C1CC1.
What is the InChIKey of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The InChIKey is LXQSASSWQMJYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-8-2-1-5-14-11(8)12-15-10(18-16-12)6-9(17)7-3-4-7/h1-2,5,7,9,17H,3-4,6H2.
What are the key properties of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol has a molecular weight of 265.70 g/mol, XLogP of 2.10, 4 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]-1-cyclopropylethanol is sourced from PubChem (CID 103445439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).