4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine

C16H13FN2OS — CID 79213593

IUPAC4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCSc1ccccc1-c1noc(N)c1-c1ccccc1F
InChIInChI=1S/C16H13FN2OS/c1-21-13-9-5-3-7-11(13)15-14(16(18)20-19-15)10-6-2-4-8-12(10)17/h2-9H,18H2,1H3
InChIKeyXXUINUKZMLQMMP-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.45
Rot. Bonds3

About 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine

4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine (PubChem CID 79213593) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
PubChem CID79213593
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCSc1ccccc1-c1noc(N)c1-c1ccccc1F
InChIInChI=1S/C16H13FN2OS/c1-21-13-9-5-3-7-11(13)15-14(16(18)20-19-15)10-6-2-4-8-12(10)17/h2-9H,18H2,1H3
InChIKeyXXUINUKZMLQMMP-UHFFFAOYSA-N
XLogP4.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523025
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79217867
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine (CID 79213593) is 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine is CSc1ccccc1-c1noc(N)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The InChIKey is XXUINUKZMLQMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-21-13-9-5-3-7-11(13)15-14(16(18)20-19-15)10-6-2-4-8-12(10)17/h2-9H,18H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine has a molecular weight of 300.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79213593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).