3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

C10H9BrN2OS — CID 106921558

IUPAC3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2ccc(N)cc2Br)n1
InChIInChI=1S/C10H9BrN2OS/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChIKeyYMQREKGNAFPOCF-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.48
Rot. Bonds2

About 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921558) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921558
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2ccc(N)cc2Br)n1
InChIInChI=1S/C10H9BrN2OS/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChIKeyYMQREKGNAFPOCF-UHFFFAOYSA-N
XLogP3.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921569
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-5-sulfamoylbenzoic acid
CID 106921145
5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921500
4-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106921522
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
2-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 107279805
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923201
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923038
3-bromo-4-(4-bromophenyl)sulfanylaniline
CID 63537051
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921558) is 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2ccc(N)cc2Br)n1.
What is the InChIKey of 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is YMQREKGNAFPOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3.
What are the key properties of 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 285.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).