3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline

C11H11ClN2OS — CID 43304882

IUPAC3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
SMILESCc1cc(CSc2c(N)cccc2Cl)no1
InChIInChI=1S/C11H11ClN2OS/c1-7-5-8(14-15-7)6-16-11-9(12)3-2-4-10(11)13/h2-5H,6,13H2,1H3
InChIKeyYLJYELWJXVYKDW-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.51
Rot. Bonds3

About 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline

3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline (PubChem CID 43304882) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
PubChem CID43304882
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
SMILESCc1cc(CSc2c(N)cccc2Cl)no1
InChIInChI=1S/C11H11ClN2OS/c1-7-5-8(14-15-7)6-16-11-9(12)3-2-4-10(11)13/h2-5H,6,13H2,1H3
InChIKeyYLJYELWJXVYKDW-UHFFFAOYSA-N
XLogP3.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]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

3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 43305486
3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43304529
3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79134396
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146896
3-chloro-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43304587
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-chloroaniline
CID 43304518
3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 43304600
3-chloro-2-(pyrimidin-2-ylmethylsulfanyl)aniline
CID 62699384
3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline
CID 79763873
5-[(2-amino-6-chlorophenyl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
CID 61319261
3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
CID 78860934
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-3-chloroaniline
CID 43304515

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
The IUPAC name of 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline (CID 43304882) is 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline.
What is the SMILES notation for 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
The canonical SMILES for 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline is Cc1cc(CSc2c(N)cccc2Cl)no1.
What is the InChIKey of 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
The InChIKey is YLJYELWJXVYKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-5-8(14-15-7)6-16-11-9(12)3-2-4-10(11)13/h2-5H,6,13H2,1H3.
What are the key properties of 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline has a molecular weight of 254.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43304882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).