5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine

C15H9ClF2N2O — CID 66202274

IUPAC5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H9ClF2N2O/c16-11-4-2-1-3-9(11)14-13(15(19)20-21-14)10-6-5-8(17)7-12(10)18/h1-7H,(H2,19,20)
InChIKeyZUBLURYPEUFRMF-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.52
Rot. Bonds2

About 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine

5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66202274) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID66202274
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H9ClF2N2O/c16-11-4-2-1-3-9(11)14-13(15(19)20-21-14)10-6-5-8(17)7-12(10)18/h1-7H,(H2,19,20)
InChIKeyZUBLURYPEUFRMF-UHFFFAOYSA-N
XLogP4.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199755

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (CID 66202274) is 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccccc2Cl)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ZUBLURYPEUFRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-11-4-2-1-3-9(11)14-13(15(19)20-21-14)10-6-5-8(17)7-12(10)18/h1-7H,(H2,19,20).
What are the key properties of 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 306.70 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66202274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).