[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol

C19H20N2O2S — CID 110005470

IUPAC[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
SMILESOCc1ccc(CSc2nnc(CCCc3ccccc3)o2)cc1
InChIInChI=1S/C19H20N2O2S/c22-13-16-9-11-17(12-10-16)14-24-19-21-20-18(23-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,22H,4,7-8,13-14H2
InChIKeyQRWGCUDHWMYRMT-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.03
Rot. Bonds8

About [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol

[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol (PubChem CID 110005470) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
PubChem CID110005470
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
SMILESOCc1ccc(CSc2nnc(CCCc3ccccc3)o2)cc1
InChIInChI=1S/C19H20N2O2S/c22-13-16-9-11-17(12-10-16)14-24-19-21-20-18(23-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,22H,4,7-8,13-14H2
InChIKeyQRWGCUDHWMYRMT-UHFFFAOYSA-N
XLogP4.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol?
The IUPAC name of [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol (CID 110005470) is [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol?
The canonical SMILES for [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol is OCc1ccc(CSc2nnc(CCCc3ccccc3)o2)cc1.
What is the InChIKey of [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol?
The InChIKey is QRWGCUDHWMYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-13-16-9-11-17(12-10-16)14-24-19-21-20-18(23-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,22H,4,7-8,13-14H2.
What are the key properties of [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol?
[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol has a molecular weight of 340.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol is sourced from PubChem (CID 110005470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).