5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C17H15N7OS — CID 16583197

IUPAC5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-n2nnnc2SCCCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C17H15N7OS/c1-2-5-14(6-3-1)24-17(20-22-23-24)26-12-4-7-15-19-16(21-25-15)13-8-10-18-11-9-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyMHXXTUDBEKFSGR-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.83
Rot. Bonds7

About 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 16583197) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID16583197
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-n2nnnc2SCCCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C17H15N7OS/c1-2-5-14(6-3-1)24-17(20-22-23-24)26-12-4-7-15-19-16(21-25-15)13-8-10-18-11-9-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyMHXXTUDBEKFSGR-UHFFFAOYSA-N
XLogP2.83
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583304
5-[3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583139
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
5-[3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583321
3-(4-chlorophenyl)-5-[3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropyl]-1,2,4-oxadiazole
CID 17416055
5-[3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16625017
5-(3-naphthalen-2-ylsulfanylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583186
5-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583150
3-(4-fluorophenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 112809502
3-propyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 16583234
3-(2-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9033418
5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 16583200

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 16583197) is 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(-n2nnnc2SCCCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is MHXXTUDBEKFSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c1-2-5-14(6-3-1)24-17(20-22-23-24)26-12-4-7-15-19-16(21-25-15)13-8-10-18-11-9-13/h1-3,5-6,8-11H,4,7,12H2.
What are the key properties of 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 365.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 16583197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).