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

C15H15N3OS — CID 43206471

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(-c2nnco2)c1)c1cccs1
InChIInChI=1S/C15H15N3OS/c1-2-13(14-7-4-8-20-14)17-12-6-3-5-11(9-12)15-18-16-10-19-15/h3-10,13,17H,2H2,1H3
InChIKeyQNYWHHDQIXSBEJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.36
Rot. Bonds5

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

3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 43206471) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID43206471
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(-c2nnco2)c1)c1cccs1
InChIInChI=1S/C15H15N3OS/c1-2-13(14-7-4-8-20-14)17-12-6-3-5-11(9-12)15-18-16-10-19-15/h3-10,13,17H,2H2,1H3
InChIKeyQNYWHHDQIXSBEJ-UHFFFAOYSA-N
XLogP4.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
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-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 60936007
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 81413545

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline (CID 43206471) is 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1cccc(-c2nnco2)c1)c1cccs1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is QNYWHHDQIXSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-13(14-7-4-8-20-14)17-12-6-3-5-11(9-12)15-18-16-10-19-15/h3-10,13,17H,2H2,1H3.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline?
3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 285.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43206471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).