4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine

C14H8Cl2FN3O — CID 104786016

IUPAC4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FN3O/c15-10-2-1-7(4-11(10)16)12-13(20-21-14(12)18)8-3-9(17)6-19-5-8/h1-6H,18H2
InChIKeyTZCIVHFXSQSANA-UHFFFAOYSA-N
MW324.14 g/mol
LogP4.43
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine

4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine (PubChem CID 104786016) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
PubChem CID104786016
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FN3O/c15-10-2-1-7(4-11(10)16)12-13(20-21-14(12)18)8-3-9(17)6-19-5-8/h1-6H,18H2
InChIKeyTZCIVHFXSQSANA-UHFFFAOYSA-N
XLogP4.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786779
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670785
3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104786017
4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922007
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
CID 104785975
4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753207
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
CID 82788090

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine (CID 104786016) is 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine is Nc1onc(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
The InChIKey is TZCIVHFXSQSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c15-10-2-1-7(4-11(10)16)12-13(20-21-14(12)18)8-3-9(17)6-19-5-8/h1-6H,18H2.
What are the key properties of 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine?
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine has a molecular weight of 324.14 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 104786016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).