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

C9H10N2O2 — CID 146018572

IUPAC2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol
SMILESCC1=NNC(c2ccccc2O)O1
InChIInChI=1S/C9H10N2O2/c1-6-10-11-9(13-6)7-4-2-3-5-8(7)12/h2-5,9,11-12H,1H3
InChIKeyCLZZQGDYYNSHND-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.34
Rot. Bonds1

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

2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 146018572) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol
PubChem CID146018572
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol
SMILESCC1=NNC(c2ccccc2O)O1
InChIInChI=1S/C9H10N2O2/c1-6-10-11-9(13-6)7-4-2-3-5-8(7)12/h2-5,9,11-12H,1H3
InChIKeyCLZZQGDYYNSHND-UHFFFAOYSA-N
XLogP1.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol (CID 146018572) is 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol is CC1=NNC(c2ccccc2O)O1.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is CLZZQGDYYNSHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-10-11-9(13-6)7-4-2-3-5-8(7)12/h2-5,9,11-12H,1H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol?
2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 178.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 146018572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).