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

C11H10ClFN2O — CID 66200636

IUPAC5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O/c1-2-7-10(16-15-11(7)14)8-4-3-6(12)5-9(8)13/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyBBMDLLJEOVBLGO-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.28
Rot. Bonds2

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

5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 66200636) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID66200636
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O/c1-2-7-10(16-15-11(7)14)8-4-3-6(12)5-9(8)13/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyBBMDLLJEOVBLGO-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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Related Compounds

5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200871
4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine
CID 66199635
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66198036
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine
CID 104615859
5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine
CID 107967181
4-ethyl-5-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66199437
2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82482086

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine (CID 66200636) is 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1ccc(Cl)cc1F.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is BBMDLLJEOVBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-2-7-10(16-15-11(7)14)8-4-3-6(12)5-9(8)13/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine?
5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-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 5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).