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

C16H14N2O2 — CID 59204295

IUPAC[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-2-6-14(7-3-11)16-17-15(18-20-16)13-8-4-12(10-19)5-9-13/h2-9,19H,10H2,1H3
InChIKeySBCSLPZIIQELIB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.20
Rot. Bonds3

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

[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 59204295) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID59204295
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-2-6-14(7-3-11)16-17-15(18-20-16)13-8-4-12(10-19)5-9-13/h2-9,19H,10H2,1H3
InChIKeySBCSLPZIIQELIB-UHFFFAOYSA-N
XLogP3.20
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
2-(methylamino)-3-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 155130872
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59509428
[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol
CID 59509485
3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]propane-1,2-diol
CID 168597643
(4-methylphenyl)methanol
CID 138734499
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl] propanoate
CID 2993467
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 59204295) is [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is Cc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1.
What is the InChIKey of [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is SBCSLPZIIQELIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-2-6-14(7-3-11)16-17-15(18-20-16)13-8-4-12(10-19)5-9-13/h2-9,19H,10H2,1H3.
What are the key properties of [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 266.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 59204295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).