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

C16H12ClFN2O — CID 66198080

IUPAC5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-3-2-4-10(7-9)14-15(21-20-16(14)19)12-8-11(17)5-6-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyNYXWBVQTEQLRED-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

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

5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198080) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198080
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-3-2-4-10(7-9)14-15(21-20-16(14)19)12-8-11(17)5-6-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyNYXWBVQTEQLRED-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 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66198080) is 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2c(N)noc2-c2cc(Cl)ccc2F)c1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is NYXWBVQTEQLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-3-2-4-10(7-9)14-15(21-20-16(14)19)12-8-11(17)5-6-13(12)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-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 5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).