3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile

C24H15Cl2N3O — CID 3421236

IUPAC3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2c(Cl)cccc2Cl)noc1C=CNc1ccccc1-c1ccccc1
InChIInChI=1S/C24H15Cl2N3O/c25-19-10-6-11-20(26)23(19)24-18(15-27)22(30-29-24)13-14-28-21-12-5-4-9-17(21)16-7-2-1-3-8-16/h1-14,28H
InChIKeyFVARQXMNMCDWDV-UHFFFAOYSA-N
MW432.31 g/mol
LogP7.27
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile

3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile (PubChem CID 3421236) has the molecular formula C24H15Cl2N3O and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile
PubChem CID3421236
Molecular FormulaC24H15Cl2N3O
Molecular Weight432.31 g/mol
Exact Mass431.06
IUPAC Name3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2c(Cl)cccc2Cl)noc1C=CNc1ccccc1-c1ccccc1
InChIInChI=1S/C24H15Cl2N3O/c25-19-10-6-11-20(26)23(19)24-18(15-27)22(30-29-24)13-14-28-21-12-5-4-9-17(21)16-7-2-1-3-8-16/h1-14,28H
InChIKeyFVARQXMNMCDWDV-UHFFFAOYSA-N
XLogP7.27
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.31
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile (CID 3421236) is 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile is N#Cc1c(-c2c(Cl)cccc2Cl)noc1C=CNc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile?
The InChIKey is FVARQXMNMCDWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O/c25-19-10-6-11-20(26)23(19)24-18(15-27)22(30-29-24)13-14-28-21-12-5-4-9-17(21)16-7-2-1-3-8-16/h1-14,28H.
What are the key properties of 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile?
3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile has a molecular weight of 432.31 g/mol, XLogP of 7.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-[2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 3421236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).