2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline

C11H11FN2OS — CID 106921682

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline
SMILESCc1nc(Sc2cc(F)ccc2N)oc1C
InChIInChI=1S/C11H11FN2OS/c1-6-7(2)15-11(14-6)16-10-5-8(12)3-4-9(10)13/h3-5H,13H2,1-2H3
InChIKeyJUAMPPHXEWTGGW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.16
Rot. Bonds2

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline (PubChem CID 106921682) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline
PubChem CID106921682
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline
SMILESCc1nc(Sc2cc(F)ccc2N)oc1C
InChIInChI=1S/C11H11FN2OS/c1-6-7(2)15-11(14-6)16-10-5-8(12)3-4-9(10)13/h3-5H,13H2,1-2H3
InChIKeyJUAMPPHXEWTGGW-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.16
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

N-[4-(acetylamino)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423857
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 9422887
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 9423321
N-(2,4-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423759
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 39922339
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 47477166
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-3-fluoroaniline
CID 54882189
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-fluoroaniline
CID 54882190
2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 54882193
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-fluoroaniline
CID 64278444
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-2-fluoroaniline
CID 79140560
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-4-fluoroaniline
CID 79147535

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline (CID 106921682) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline is Cc1nc(Sc2cc(F)ccc2N)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline?
The InChIKey is JUAMPPHXEWTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6-7(2)15-11(14-6)16-10-5-8(12)3-4-9(10)13/h3-5H,13H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline has a molecular weight of 238.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline is sourced from PubChem (CID 106921682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).