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

C11H10ClFN2O — CID 81454075

IUPAC3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cccc(F)c2Cl)noc1N
InChIInChI=1S/C11H10ClFN2O/c1-2-6-10(15-16-11(6)14)7-4-3-5-8(13)9(7)12/h3-5H,2,14H2,1H3
InChIKeyUZVMTJGSGCIRSK-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.28
Rot. Bonds2

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

3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 81454075) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID81454075
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cccc(F)c2Cl)noc1N
InChIInChI=1S/C11H10ClFN2O/c1-2-6-10(15-16-11(6)14)7-4-3-5-8(13)9(7)12/h3-5H,2,14H2,1H3
InChIKeyUZVMTJGSGCIRSK-UHFFFAOYSA-N
XLogP3.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine (CID 81454075) is 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2cccc(F)c2Cl)noc1N.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is UZVMTJGSGCIRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-2-6-10(15-16-11(6)14)7-4-3-5-8(13)9(7)12/h3-5H,2,14H2,1H3.
What are the key properties of 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 240.66 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 81454075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).