2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol

C16H15N3O2 — CID 43206442

IUPAC2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
SMILESCC(Nc1cccc(-c2nnco2)c1)c1ccccc1O
InChIInChI=1S/C16H15N3O2/c1-11(14-7-2-3-8-15(14)20)18-13-6-4-5-12(9-13)16-19-17-10-21-16/h2-11,18,20H,1H3
InChIKeyULIYJSTYMUURQV-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.62
Rot. Bonds4

About 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol

2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol (PubChem CID 43206442) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
PubChem CID43206442
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
SMILESCC(Nc1cccc(-c2nnco2)c1)c1ccccc1O
InChIInChI=1S/C16H15N3O2/c1-11(14-7-2-3-8-15(14)20)18-13-6-4-5-12(9-13)16-19-17-10-21-16/h2-11,18,20H,1H3
InChIKeyULIYJSTYMUURQV-UHFFFAOYSA-N
XLogP3.62
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 83118930
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63751911
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol?
The IUPAC name of 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol (CID 43206442) is 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol.
What is the SMILES notation for 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol?
The canonical SMILES for 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol is CC(Nc1cccc(-c2nnco2)c1)c1ccccc1O.
What is the InChIKey of 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol?
The InChIKey is ULIYJSTYMUURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(14-7-2-3-8-15(14)20)18-13-6-4-5-12(9-13)16-19-17-10-21-16/h2-11,18,20H,1H3.
What are the key properties of 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol?
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol is sourced from PubChem (CID 43206442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).