3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

C15H17N5OS — CID 75852445

IUPAC3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCC(Sc1nncn1C(C)C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H17N5OS/c1-10(2)20-9-16-18-15(20)22-11(3)14-17-13(19-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyZQRSZUZRQGLNRM-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.76
Rot. Bonds5

About 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 75852445) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID75852445
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCC(Sc1nncn1C(C)C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H17N5OS/c1-10(2)20-9-16-18-15(20)22-11(3)14-17-13(19-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyZQRSZUZRQGLNRM-UHFFFAOYSA-N
XLogP3.76
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (CID 75852445) is 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is CC(Sc1nncn1C(C)C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is ZQRSZUZRQGLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10(2)20-9-16-18-15(20)22-11(3)14-17-13(19-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 315.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).