2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

C11H12N2O2S — CID 106921500

IUPAC2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCOc1cccc(Sc2nc(C)co2)c1N
InChIInChI=1S/C11H12N2O2S/c1-7-6-15-11(13-7)16-9-5-3-4-8(14-2)10(9)12/h3-6H,12H2,1-2H3
InChIKeyACPIADKTCXJFTM-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.73
Rot. Bonds3

About 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921500) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921500
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCOc1cccc(Sc2nc(C)co2)c1N
InChIInChI=1S/C11H12N2O2S/c1-7-6-15-11(13-7)16-9-5-3-4-8(14-2)10(9)12/h3-6H,12H2,1-2H3
InChIKeyACPIADKTCXJFTM-UHFFFAOYSA-N
XLogP2.73
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926969
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-methoxyaniline
CID 106921652
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926965
ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
CID 114195804
3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921507
4-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106921522
2,6-dimethoxyaniline;ethane
CID 145233133
5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921569
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921500) is 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is COc1cccc(Sc2nc(C)co2)c1N.
What is the InChIKey of 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is ACPIADKTCXJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-6-15-11(13-7)16-9-5-3-4-8(14-2)10(9)12/h3-6H,12H2,1-2H3.
What are the key properties of 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 236.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).