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

C9H8N2O2 — CID 12961743

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C9H8N2O2/c1-6-10-11-9(13-6)7-3-2-4-8(12)5-7/h2-5,12H,1H3
InChIKeyIBPCQSLEMFFILD-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.75
Rot. Bonds1

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

3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 12961743) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID12961743
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C9H8N2O2/c1-6-10-11-9(13-6)7-3-2-4-8(12)5-7/h2-5,12H,1H3
InChIKeyIBPCQSLEMFFILD-UHFFFAOYSA-N
XLogP1.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol (CID 12961743) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol is Cc1nnc(-c2cccc(O)c2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is IBPCQSLEMFFILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-10-11-9(13-6)7-3-2-4-8(12)5-7/h2-5,12H,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol?
3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 176.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 12961743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).