3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol

C14H19N3O2 — CID 82830169

IUPAC3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
SMILESCCNCCCc1nnc(-c2cccc(O)c2C)o1
InChIInChI=1S/C14H19N3O2/c1-3-15-9-5-8-13-16-17-14(19-13)11-6-4-7-12(18)10(11)2/h4,6-7,15,18H,3,5,8-9H2,1-2H3
InChIKeyIIIAFLIEVWGURN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds6

About 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol

3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol (PubChem CID 82830169) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
PubChem CID82830169
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
SMILESCCNCCCc1nnc(-c2cccc(O)c2C)o1
InChIInChI=1S/C14H19N3O2/c1-3-15-9-5-8-13-16-17-14(19-13)11-6-4-7-12(18)10(11)2/h4,6-7,15,18H,3,5,8-9H2,1-2H3
InChIKeyIIIAFLIEVWGURN-UHFFFAOYSA-N
XLogP2.29
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
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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Related Compounds

N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
3-[5-(2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62136756
N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62874487
N-ethyl-2-[5-(2-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162907
N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62164993
N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152299
2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 82830527
N-ethyl-3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63211469
N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138167
2-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163779
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55153256
2-[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 82891184

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The IUPAC name of 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol (CID 82830169) is 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol.
What is the SMILES notation for 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The canonical SMILES for 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol is CCNCCCc1nnc(-c2cccc(O)c2C)o1.
What is the InChIKey of 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The InChIKey is IIIAFLIEVWGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-9-5-8-13-16-17-14(19-13)11-6-4-7-12(18)10(11)2/h4,6-7,15,18H,3,5,8-9H2,1-2H3.
What are the key properties of 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol has a molecular weight of 261.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol is sourced from PubChem (CID 82830169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).