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

C12H15N3O2 — CID 137002850

IUPAC2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCNCCCc1noc(-c2ccccc2O)n1
InChIInChI=1S/C12H15N3O2/c1-13-8-4-7-11-14-12(17-15-11)9-5-2-3-6-10(9)16/h2-3,5-6,13,16H,4,7-8H2,1H3
InChIKeyADLHZBHDAQSLHF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.59
Rot. Bonds5

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

2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137002850) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137002850
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCNCCCc1noc(-c2ccccc2O)n1
InChIInChI=1S/C12H15N3O2/c1-13-8-4-7-11-14-12(17-15-11)9-5-2-3-6-10(9)16/h2-3,5-6,13,16H,4,7-8H2,1H3
InChIKeyADLHZBHDAQSLHF-UHFFFAOYSA-N
XLogP1.59
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol (CID 137002850) is 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol is CNCCCc1noc(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ADLHZBHDAQSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13-8-4-7-11-14-12(17-15-11)9-5-2-3-6-10(9)16/h2-3,5-6,13,16H,4,7-8H2,1H3.
What are the key properties of 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137002850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).