3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

C17H13N5OS — CID 145064953

IUPAC3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSC3=NN=C(c4cccnc4)C3)n2)cc1
InChIInChI=1S/C17H13N5OS/c1-2-5-12(6-3-1)17-19-15(23-22-17)11-24-16-9-14(20-21-16)13-7-4-8-18-10-13/h1-8,10H,9,11H2
InChIKeySZTXBWKJQUVXFC-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.57
Rot. Bonds4

About 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 145064953) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID145064953
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSC3=NN=C(c4cccnc4)C3)n2)cc1
InChIInChI=1S/C17H13N5OS/c1-2-5-12(6-3-1)17-19-15(23-22-17)11-24-16-9-14(20-21-16)13-7-4-8-18-10-13/h1-8,10H,9,11H2
InChIKeySZTXBWKJQUVXFC-UHFFFAOYSA-N
XLogP3.57
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290445
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290399
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 145064953) is 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CSC3=NN=C(c4cccnc4)C3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is SZTXBWKJQUVXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-2-5-12(6-3-1)17-19-15(23-22-17)11-24-16-9-14(20-21-16)13-7-4-8-18-10-13/h1-8,10H,9,11H2.
What are the key properties of 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 335.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 145064953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).