4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine

C13H10Cl2N4O — CID 107972739

IUPAC4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCn1cnc(-c2noc(N)c2-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H10Cl2N4O/c1-19-5-9(17-6-19)12-11(13(16)20-18-12)10-7(14)3-2-4-8(10)15/h2-6H,16H2,1H3
InChIKeyOJYGFFGWNDTSLN-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.63
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine

4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 107972739) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
PubChem CID107972739
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCn1cnc(-c2noc(N)c2-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H10Cl2N4O/c1-19-5-9(17-6-19)12-11(13(16)20-18-12)10-7(14)3-2-4-8(10)15/h2-6H,16H2,1H3
InChIKeyOJYGFFGWNDTSLN-UHFFFAOYSA-N
XLogP3.63
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (CID 107972739) is 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is Cn1cnc(-c2noc(N)c2-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is OJYGFFGWNDTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-19-5-9(17-6-19)12-11(13(16)20-18-12)10-7(14)3-2-4-8(10)15/h2-6H,16H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 309.16 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107972739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).