N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline

C16H14BrN3O — CID 43206435

IUPACN-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c1-11(12-4-2-6-14(17)8-12)19-15-7-3-5-13(9-15)16-20-18-10-21-16/h2-11,19H,1H3
InChIKeyBKSUOOFDFVJDHW-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.67
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline

N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43206435) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43206435
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c1-11(12-4-2-6-14(17)8-12)19-15-7-3-5-13(9-15)16-20-18-10-21-16/h2-11,19H,1H3
InChIKeyBKSUOOFDFVJDHW-UHFFFAOYSA-N
XLogP4.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
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
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-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
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 N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 43206435) is N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is CC(Nc1cccc(-c2nnco2)c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is BKSUOOFDFVJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-11(12-4-2-6-14(17)8-12)19-15-7-3-5-13(9-15)16-20-18-10-21-16/h2-11,19H,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 344.21 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43206435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).