2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole

C10H9N3OS — CID 4920344

IUPAC2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESC=CCSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H9N3OS/c1-2-6-15-10-13-12-9(14-10)8-4-3-5-11-7-8/h2-5,7H,1,6H2
InChIKeyRBVOQGZSFXBWGI-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.41
Rot. Bonds4

About 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole

2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 4920344) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID4920344
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESC=CCSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H9N3OS/c1-2-6-15-10-13-12-9(14-10)8-4-3-5-11-7-8/h2-5,7H,1,6H2
InChIKeyRBVOQGZSFXBWGI-UHFFFAOYSA-N
XLogP2.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
GSK-3 Inhibitor II
CID 6539732
2-[(4-Nitrophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 779799
2-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 6483846
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 655156

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (CID 4920344) is 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is C=CCSc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is RBVOQGZSFXBWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-2-6-15-10-13-12-9(14-10)8-4-3-5-11-7-8/h2-5,7H,1,6H2.
What are the key properties of 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 219.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4920344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).