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

C18H26N2O2 — CID 135778489

IUPAC4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCCCCCCCCCCc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-17-19-20-18(22-17)15-11-13-16(21)14-12-15/h11-14,21H,2-10H2,1H3
InChIKeyJOZSESXOAQNWRX-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.13
Rot. Bonds10

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

4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 135778489) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID135778489
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCCCCCCCCCCc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-17-19-20-18(22-17)15-11-13-16(21)14-12-15/h11-14,21H,2-10H2,1H3
InChIKeyJOZSESXOAQNWRX-UHFFFAOYSA-N
XLogP5.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol (CID 135778489) is 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol is CCCCCCCCCCc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is JOZSESXOAQNWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-17-19-20-18(22-17)15-11-13-16(21)14-12-15/h11-14,21H,2-10H2,1H3.
What are the key properties of 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol?
4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 302.42 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-decyl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 135778489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).