3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline

C16H15N3O — CID 43206434

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12(13-6-3-2-4-7-13)18-15-9-5-8-14(10-15)16-19-17-11-20-16/h2-12,18H,1H3
InChIKeyZEIVYWYUSNISIA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.91
Rot. Bonds4

About 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline

3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline (PubChem CID 43206434) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
PubChem CID43206434
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12(13-6-3-2-4-7-13)18-15-9-5-8-14(10-15)16-19-17-11-20-16/h2-12,18H,1H3
InChIKeyZEIVYWYUSNISIA-UHFFFAOYSA-N
XLogP3.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
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
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
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-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206470

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline (CID 43206434) is 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline is CC(Nc1cccc(-c2nnco2)c1)c1ccccc1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline?
The InChIKey is ZEIVYWYUSNISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(13-6-3-2-4-7-13)18-15-9-5-8-14(10-15)16-19-17-11-20-16/h2-12,18H,1H3.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline?
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline has a molecular weight of 265.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43206434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).