N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline

C17H15BrN2O — CID 60943068

IUPACN-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2cnco2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-12(13-2-6-15(18)7-3-13)20-16-8-4-14(5-9-16)17-10-19-11-21-17/h2-12,20H,1H3
InChIKeyZOSJGAMBRFSMAV-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.28
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline

N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 60943068) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID60943068
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2cnco2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-12(13-2-6-15(18)7-3-13)20-16-8-4-14(5-9-16)17-10-19-11-21-17/h2-12,20H,1H3
InChIKeyZOSJGAMBRFSMAV-UHFFFAOYSA-N
XLogP5.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943069
N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 54864396
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 102613250
N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 113354064
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
CID 66174342
N-[1-(4-bromothiophen-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 107167802
3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089304
N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689538
N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942327
4-(1,3-oxazol-5-yl)-N-(propan-2-ylideneamino)aniline
CID 23106550
4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]aniline
CID 43194557
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
CID 43722207

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline (CID 60943068) is N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline is CC(Nc1ccc(-c2cnco2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is ZOSJGAMBRFSMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-12(13-2-6-15(18)7-3-13)20-16-8-4-14(5-9-16)17-10-19-11-21-17/h2-12,20H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 343.22 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 60943068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).