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

C16H12ClFN2O — CID 82787791

IUPAC4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H12ClFN2O/c1-9-5-7-10(8-6-9)15-13(16(19)21-20-15)11-3-2-4-12(17)14(11)18/h2-8H,19H2,1H3
InChIKeyAGTYYNYZAQOYFX-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 82787791) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID82787791
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H12ClFN2O/c1-9-5-7-10(8-6-9)15-13(16(19)21-20-15)11-3-2-4-12(17)14(11)18/h2-8H,19H2,1H3
InChIKeyAGTYYNYZAQOYFX-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine (CID 82787791) is 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is AGTYYNYZAQOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-5-7-10(8-6-9)15-13(16(19)21-20-15)11-3-2-4-12(17)14(11)18/h2-8H,19H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine?
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 302.74 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82787791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).