[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol

C19H20N2O2 — CID 11507819

IUPAC[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(CO)cc3)o2)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)16-10-8-15(9-11-16)18-21-20-17(23-18)14-6-4-13(12-22)5-7-14/h4-11,22H,12H2,1-3H3
InChIKeyOKVSCUBYKVOWDX-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.19
Rot. Bonds3

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

[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol (PubChem CID 11507819) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol
PubChem CID11507819
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(CO)cc3)o2)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)16-10-8-15(9-11-16)18-21-20-17(23-18)14-6-4-13(12-22)5-7-14/h4-11,22H,12H2,1-3H3
InChIKeyOKVSCUBYKVOWDX-UHFFFAOYSA-N
XLogP4.19
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol (CID 11507819) is [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol is CC(C)(C)c1ccc(-c2nnc(-c3ccc(CO)cc3)o2)cc1.
What is the InChIKey of [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol?
The InChIKey is OKVSCUBYKVOWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)16-10-8-15(9-11-16)18-21-20-17(23-18)14-6-4-13(12-22)5-7-14/h4-11,22H,12H2,1-3H3.
What are the key properties of [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol?
[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol has a molecular weight of 308.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol is sourced from PubChem (CID 11507819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).