4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine

C10H8ClFN2O — CID 66200303

IUPAC4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5-8(10(13)14-15-5)9-6(11)3-2-4-7(9)12/h2-4H,1H3,(H2,13,14)
InChIKeyBGGBIVYBGYFWHN-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.02
Rot. Bonds1

About 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 66200303) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID66200303
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5-8(10(13)14-15-5)9-6(11)3-2-4-7(9)12/h2-4H,1H3,(H2,13,14)
InChIKeyBGGBIVYBGYFWHN-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
4-(2-chloro-6-fluorophenyl)-5-cycloheptyl-1,2-oxazol-3-amine
CID 66199498
4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200908
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 2742677
4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200709
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 43335678
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
CID 66206018
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (CID 66200303) is 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is Cc1onc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is BGGBIVYBGYFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-8(10(13)14-15-5)9-6(11)3-2-4-7(9)12/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 226.64 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).