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

C16H11N5O3S — CID 155554102

IUPAC4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)o3)o2)cc1
InChIInChI=1S/C16H11N5O3S/c22-12-3-1-10(2-4-12)14-19-18-13(23-14)9-25-16-21-20-15(24-16)11-5-7-17-8-6-11/h1-8,22H,9H2
InChIKeyAYUOAFKKDJKRFJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.18
Rot. Bonds5

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

4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 155554102) has the molecular formula C16H11N5O3S and a molecular weight of 353.36 g/mol. Its IUPAC name is 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID155554102
Molecular FormulaC16H11N5O3S
Molecular Weight353.36 g/mol
Exact Mass353.06
IUPAC Name4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)o3)o2)cc1
InChIInChI=1S/C16H11N5O3S/c22-12-3-1-10(2-4-12)14-19-18-13(23-14)9-25-16-21-20-15(24-16)11-5-7-17-8-6-11/h1-8,22H,9H2
InChIKeyAYUOAFKKDJKRFJ-UHFFFAOYSA-N
XLogP3.18
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol (CID 155554102) is 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)o3)o2)cc1.
What is the InChIKey of 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is AYUOAFKKDJKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3S/c22-12-3-1-10(2-4-12)14-19-18-13(23-14)9-25-16-21-20-15(24-16)11-5-7-17-8-6-11/h1-8,22H,9H2.
What are the key properties of 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol?
4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 353.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 155554102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).