(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol

C10H10N2O2 — CID 63851603

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
SMILESCc1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9(13)8-5-3-2-4-6-8/h2-6,9,13H,1H3
InChIKeyASOQZCFXVZTJLT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.46
Rot. Bonds2

About (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol

(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol (PubChem CID 63851603) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
PubChem CID63851603
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
SMILESCc1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9(13)8-5-3-2-4-6-8/h2-6,9,13H,1H3
InChIKeyASOQZCFXVZTJLT-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol (CID 63851603) is (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol is Cc1noc(C(O)c2ccccc2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol?
The InChIKey is ASOQZCFXVZTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9(13)8-5-3-2-4-6-8/h2-6,9,13H,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol?
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol has a molecular weight of 190.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol is sourced from PubChem (CID 63851603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).