5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C11H11N3O3S — CID 171682421

IUPAC5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccccn2)no1)C1CC1
InChIInChI=1S/C11H11N3O3S/c15-18(16,8-4-5-8)7-10-13-11(14-17-10)9-3-1-2-6-12-9/h1-3,6,8H,4-5,7H2
InChIKeyKCMXLDMSNQDBSC-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.21
Rot. Bonds4

About 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 171682421) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID171682421
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccccn2)no1)C1CC1
InChIInChI=1S/C11H11N3O3S/c15-18(16,8-4-5-8)7-10-13-11(14-17-10)9-3-1-2-6-12-9/h1-3,6,8H,4-5,7H2
InChIKeyKCMXLDMSNQDBSC-UHFFFAOYSA-N
XLogP1.21
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658
1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346832
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 171682421) is 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2ccccn2)no1)C1CC1.
What is the InChIKey of 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is KCMXLDMSNQDBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-18(16,8-4-5-8)7-10-13-11(14-17-10)9-3-1-2-6-12-9/h1-3,6,8H,4-5,7H2.
What are the key properties of 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 265.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 171682421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).