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

C16H12ClFN2O — CID 82878281

IUPAC5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-4-2-3-5-11(9)14-15(21-20-16(14)19)10-6-7-13(18)12(17)8-10/h2-8H,1H3,(H2,19,20)
InChIKeyFFAGBHUQVNVXOP-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

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

5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 82878281) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID82878281
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-4-2-3-5-11(9)14-15(21-20-16(14)19)10-6-7-13(18)12(17)8-10/h2-8H,1H3,(H2,19,20)
InChIKeyFFAGBHUQVNVXOP-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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Related Compounds

4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991
5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 81448884
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355
5-(furan-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205205

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (CID 82878281) is 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is FFAGBHUQVNVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-4-2-3-5-11(9)14-15(21-20-16(14)19)10-6-7-13(18)12(17)8-10/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
5-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82878281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).