3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole

C11H10ClN3O2S — CID 167975706

IUPAC3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESO=S(Cc1noc(C2CC2)n1)c1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN3O2S/c12-8-3-4-10(13-5-8)18(16)6-9-14-11(17-15-9)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyWFELATKPQABFQC-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.30
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole

3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 167975706) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID167975706
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESO=S(Cc1noc(C2CC2)n1)c1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN3O2S/c12-8-3-4-10(13-5-8)18(16)6-9-14-11(17-15-9)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyWFELATKPQABFQC-UHFFFAOYSA-N
XLogP2.30
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine
CID 124627488
3-[(5-chloro-2-nitrophenoxy)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 48838162
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55201047
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
CID 54959929
3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 136564067
5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
CID 146089166
4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 91839373
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47364515
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole (CID 167975706) is 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole is O=S(Cc1noc(C2CC2)n1)c1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is WFELATKPQABFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-8-3-4-10(13-5-8)18(16)6-9-14-11(17-15-9)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 283.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 167975706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).