4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine

C13H8Cl2N4O — CID 2745738

IUPAC4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1
InChIInChI=1S/C13H8Cl2N4O/c14-7-1-2-8(9(15)5-7)11-6-12(20-19-11)10-3-4-17-13(16)18-10/h1-6H,(H2,16,17,18)
InChIKeyHVPDAHDCOOJUMW-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.69
Rot. Bonds2

About 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine

4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine (PubChem CID 2745738) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine
PubChem CID2745738
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1
InChIInChI=1S/C13H8Cl2N4O/c14-7-1-2-8(9(15)5-7)11-6-12(20-19-11)10-3-4-17-13(16)18-10/h1-6H,(H2,16,17,18)
InChIKeyHVPDAHDCOOJUMW-UHFFFAOYSA-N
XLogP3.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine (CID 2745738) is 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine?
The InChIKey is HVPDAHDCOOJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-7-1-2-8(9(15)5-7)11-6-12(20-19-11)10-3-4-17-13(16)18-10/h1-6H,(H2,16,17,18).
What are the key properties of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine?
4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine has a molecular weight of 307.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 2745738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).