2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline

C18H24BrClN2O2 — CID 118099882

IUPAC2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline
SMILESCc1cc(C(CCOC(C)(C)C)CNc2cc(Cl)ccc2Br)on1
InChIInChI=1S/C18H24BrClN2O2/c1-12-9-17(24-22-12)13(7-8-23-18(2,3)4)11-21-16-10-14(20)5-6-15(16)19/h5-6,9-10,13,21H,7-8,11H2,1-4H3
InChIKeyRNLLIGMYYKDUAF-UHFFFAOYSA-N
MW415.76 g/mol
LogP5.80
Rot. Bonds7

About 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline

2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline (PubChem CID 118099882) has the molecular formula C18H24BrClN2O2 and a molecular weight of 415.76 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline
PubChem CID118099882
Molecular FormulaC18H24BrClN2O2
Molecular Weight415.76 g/mol
Exact Mass414.07
IUPAC Name2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline
SMILESCc1cc(C(CCOC(C)(C)C)CNc2cc(Cl)ccc2Br)on1
InChIInChI=1S/C18H24BrClN2O2/c1-12-9-17(24-22-12)13(7-8-23-18(2,3)4)11-21-16-10-14(20)5-6-15(16)19/h5-6,9-10,13,21H,7-8,11H2,1-4H3
InChIKeyRNLLIGMYYKDUAF-UHFFFAOYSA-N
XLogP5.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.76
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112589304
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591582
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
2-bromo-5-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]aniline
CID 81281056
2-bromo-5-chloro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 81264088
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline (CID 118099882) is 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline is Cc1cc(C(CCOC(C)(C)C)CNc2cc(Cl)ccc2Br)on1.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline?
The InChIKey is RNLLIGMYYKDUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrClN2O2/c1-12-9-17(24-22-12)13(7-8-23-18(2,3)4)11-21-16-10-14(20)5-6-15(16)19/h5-6,9-10,13,21H,7-8,11H2,1-4H3.
What are the key properties of 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline?
2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline has a molecular weight of 415.76 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(3-methyl-1,2-oxazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butyl]aniline is sourced from PubChem (CID 118099882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).