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

C12H14N2O2 — CID 135912792

IUPAC4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCCCCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C12H14N2O2/c1-2-3-4-11-13-12(14-16-11)9-5-7-10(15)8-6-9/h5-8,15H,2-4H2,1H3
InChIKeyOUNWDZINNLJSJW-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.78
Rot. Bonds4

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

4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135912792) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135912792
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCCCCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C12H14N2O2/c1-2-3-4-11-13-12(14-16-11)9-5-7-10(15)8-6-9/h5-8,15H,2-4H2,1H3
InChIKeyOUNWDZINNLJSJW-UHFFFAOYSA-N
XLogP2.78
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol (CID 135912792) is 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol is CCCCc1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is OUNWDZINNLJSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-4-11-13-12(14-16-11)9-5-7-10(15)8-6-9/h5-8,15H,2-4H2,1H3.
What are the key properties of 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol?
4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 218.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135912792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).