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

C16H12ClFN2O — CID 81448884

IUPAC5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1cccc(F)c1Cl
InChIInChI=1S/C16H12ClFN2O/c1-9-5-2-3-6-10(9)13-15(21-20-16(13)19)11-7-4-8-12(18)14(11)17/h2-8H,1H3,(H2,19,20)
InChIKeyDWAQBGLJQZKODN-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

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

5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 81448884) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID81448884
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1cccc(F)c1Cl
InChIInChI=1S/C16H12ClFN2O/c1-9-5-2-3-6-10(9)13-15(21-20-16(13)19)11-7-4-8-12(18)14(11)17/h2-8H,1H3,(H2,19,20)
InChIKeyDWAQBGLJQZKODN-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-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (CID 81448884) is 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1cccc(F)c1Cl.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DWAQBGLJQZKODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-5-2-3-6-10(9)13-15(21-20-16(13)19)11-7-4-8-12(18)14(11)17/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
5-(2-chloro-3-fluorophenyl)-4-(2-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-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 81448884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).