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

C10H12N2O2 — CID 91320963

IUPAC[3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol
SMILESCc1ccccc1N1COC(CO)=N1
InChIInChI=1S/C10H12N2O2/c1-8-4-2-3-5-9(8)12-7-14-10(6-13)11-12/h2-5,13H,6-7H2,1H3
InChIKeyNGTTXNUNZIUBLO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.09
Rot. Bonds2

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

[3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol (PubChem CID 91320963) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol
PubChem CID91320963
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol
SMILESCc1ccccc1N1COC(CO)=N1
InChIInChI=1S/C10H12N2O2/c1-8-4-2-3-5-9(8)12-7-14-10(6-13)11-12/h2-5,13H,6-7H2,1H3
InChIKeyNGTTXNUNZIUBLO-UHFFFAOYSA-N
XLogP1.09
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol (CID 91320963) is [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol is Cc1ccccc1N1COC(CO)=N1.
What is the InChIKey of [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol?
The InChIKey is NGTTXNUNZIUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8-4-2-3-5-9(8)12-7-14-10(6-13)11-12/h2-5,13H,6-7H2,1H3.
What are the key properties of [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol?
[3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol has a molecular weight of 192.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-2H-1,3,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 91320963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).