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

C15H9ClF2N2O — CID 43335828

IUPAC4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)ccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF2N2O/c16-9-3-1-8(2-4-9)13-14(20-21-15(13)19)11-7-10(17)5-6-12(11)18/h1-7H,19H2
InChIKeyLBNSDYDODOAFCU-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.52
Rot. Bonds2

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

4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43335828) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID43335828
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)ccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF2N2O/c16-9-3-1-8(2-4-9)13-14(20-21-15(13)19)11-7-10(17)5-6-12(11)18/h1-7H,19H2
InChIKeyLBNSDYDODOAFCU-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

3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 82772621
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine (CID 43335828) is 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2cc(F)ccc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is LBNSDYDODOAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-9-3-1-8(2-4-9)13-14(20-21-15(13)19)11-7-10(17)5-6-12(11)18/h1-7H,19H2.
What are the key properties of 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine?
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-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 4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).