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

C10H10N2O2 — CID 3041365

IUPAC[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol
SMILESCc1ccc(-c2nnc(CO)o2)cc1
InChIInChI=1S/C10H10N2O2/c1-7-2-4-8(5-3-7)10-12-11-9(6-13)14-10/h2-5,13H,6H2,1H3
InChIKeyNKZFJQXLZIQHGS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.54
Rot. Bonds2

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

[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 3041365) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol
PubChem CID3041365
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol
SMILESCc1ccc(-c2nnc(CO)o2)cc1
InChIInChI=1S/C10H10N2O2/c1-7-2-4-8(5-3-7)10-12-11-9(6-13)14-10/h2-5,13H,6H2,1H3
InChIKeyNKZFJQXLZIQHGS-UHFFFAOYSA-N
XLogP1.54
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol (CID 3041365) is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol is Cc1ccc(-c2nnc(CO)o2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is NKZFJQXLZIQHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-2-4-8(5-3-7)10-12-11-9(6-13)14-10/h2-5,13H,6H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol?
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 190.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 3041365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).