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

C12H12ClFN2O2 — CID 63038642

IUPAC4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
SMILESCOCCc1noc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClFN2O2/c1-17-5-4-10-11(12(15)18-16-10)8-3-2-7(14)6-9(8)13/h2-3,6H,4-5,15H2,1H3
InChIKeyVJNIFICSDZOZEH-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.91
Rot. Bonds4

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

4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine (PubChem CID 63038642) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
PubChem CID63038642
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
SMILESCOCCc1noc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClFN2O2/c1-17-5-4-10-11(12(15)18-16-10)8-3-2-7(14)6-9(8)13/h2-3,6H,4-5,15H2,1H3
InChIKeyVJNIFICSDZOZEH-UHFFFAOYSA-N
XLogP2.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine (CID 63038642) is 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine is COCCc1noc(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine?
The InChIKey is VJNIFICSDZOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-17-5-4-10-11(12(15)18-16-10)8-3-2-7(14)6-9(8)13/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine?
4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine has a molecular weight of 270.69 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63038642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).