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

C10H8ClFN2O — CID 66199197

IUPAC5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5-9(15-14-10(5)13)7-3-2-6(12)4-8(7)11/h2-4H,1H3,(H2,13,14)
InChIKeyDKTSZAOWOHLFCD-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.02
Rot. Bonds1

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

5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 66199197) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID66199197
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5-9(15-14-10(5)13)7-3-2-6(12)4-8(7)11/h2-4H,1H3,(H2,13,14)
InChIKeyDKTSZAOWOHLFCD-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine (CID 66199197) is 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is DKTSZAOWOHLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-9(15-14-10(5)13)7-3-2-6(12)4-8(7)11/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine?
5-(2-chloro-4-fluorophenyl)-4-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 5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).