2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile

C15H10N4OS — CID 1467928

IUPAC2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H10N4OS/c16-9-12-3-1-2-4-13(12)10-21-15-19-18-14(20-15)11-5-7-17-8-6-11/h1-8H,10H2
InChIKeyRSOOFHDQBUOTDB-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.30
Rot. Bonds4

About 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile

2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile (PubChem CID 1467928) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
PubChem CID1467928
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H10N4OS/c16-9-12-3-1-2-4-13(12)10-21-15-19-18-14(20-15)11-5-7-17-8-6-11/h1-8H,10H2
InChIKeyRSOOFHDQBUOTDB-UHFFFAOYSA-N
XLogP3.30
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile (CID 1467928) is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile is N#Cc1ccccc1CSc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
The InChIKey is RSOOFHDQBUOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-9-12-3-1-2-4-13(12)10-21-15-19-18-14(20-15)11-5-7-17-8-6-11/h1-8H,10H2.
What are the key properties of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile has a molecular weight of 294.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 1467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).