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

C14H8Cl2FN3O — CID 104786779

IUPAC4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FN3O/c15-10-2-1-7(4-11(10)16)12-13(21-20-14(12)18)8-3-9(17)6-19-5-8/h1-6H,(H2,18,20)
InChIKeyPLYVUAZJBODSIV-UHFFFAOYSA-N
MW324.14 g/mol
LogP4.43
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine (PubChem CID 104786779) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
PubChem CID104786779
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FN3O/c15-10-2-1-7(4-11(10)16)12-13(21-20-14(12)18)8-3-9(17)6-19-5-8/h1-6H,(H2,18,20)
InChIKeyPLYVUAZJBODSIV-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

4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786790
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
CID 104785975
4-(2-fluorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786774
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103222593
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742850
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(5-bromofuran-2-yl)-4-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200021

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine (CID 104786779) is 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine is Nc1noc(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
The InChIKey is PLYVUAZJBODSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c15-10-2-1-7(4-11(10)16)12-13(21-20-14(12)18)8-3-9(17)6-19-5-8/h1-6H,(H2,18,20).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-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)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104786779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).