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

C10H9ClN2OS — CID 106921507

IUPAC3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2c(N)cccc2Cl)n1
InChIInChI=1S/C10H9ClN2OS/c1-6-5-14-10(13-6)15-9-7(11)3-2-4-8(9)12/h2-5H,12H2,1H3
InChIKeyIURMBGNHAZOBNQ-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.37
Rot. Bonds2

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

3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921507) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921507
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2c(N)cccc2Cl)n1
InChIInChI=1S/C10H9ClN2OS/c1-6-5-14-10(13-6)15-9-7(11)3-2-4-8(9)12/h2-5H,12H2,1H3
InChIKeyIURMBGNHAZOBNQ-UHFFFAOYSA-N
XLogP3.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.37
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

[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928814
2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921500
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
2-[2-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114065071
4-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106921522
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923038
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
3-chloro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779412

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921507) is 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2c(N)cccc2Cl)n1.
What is the InChIKey of 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is IURMBGNHAZOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-5-14-10(13-6)15-9-7(11)3-2-4-8(9)12/h2-5H,12H2,1H3.
What are the key properties of 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 240.72 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).