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

C11H12N2O2 — CID 808386

IUPAC4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCCCc1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H12N2O2/c1-2-3-10-12-11(15-13-10)8-4-6-9(14)7-5-8/h4-7,14H,2-3H2,1H3
InChIKeyVBUHCNFMQAJDSD-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.39
Rot. Bonds3

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

4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 808386) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID808386
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCCCc1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H12N2O2/c1-2-3-10-12-11(15-13-10)8-4-6-9(14)7-5-8/h4-7,14H,2-3H2,1H3
InChIKeyVBUHCNFMQAJDSD-UHFFFAOYSA-N
XLogP2.39
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol (CID 808386) is 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol is CCCc1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is VBUHCNFMQAJDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-10-12-11(15-13-10)8-4-6-9(14)7-5-8/h4-7,14H,2-3H2,1H3.
What are the key properties of 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol?
4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 204.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 808386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).