3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole

C19H12Cl2N2O — CID 127041855

IUPAC3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1cc(-c2ccc(-n3cccc3)cc2)on1
InChIInChI=1S/C19H12Cl2N2O/c20-15-4-3-5-16(21)19(15)17-12-18(24-22-17)13-6-8-14(9-7-13)23-10-1-2-11-23/h1-12H
InChIKeyWERPMWXZMBQCDJ-UHFFFAOYSA-N
MW355.22 g/mol
LogP6.11
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole

3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (PubChem CID 127041855) has the molecular formula C19H12Cl2N2O and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
PubChem CID127041855
Molecular FormulaC19H12Cl2N2O
Molecular Weight355.22 g/mol
Exact Mass354.03
IUPAC Name3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1cc(-c2ccc(-n3cccc3)cc2)on1
InChIInChI=1S/C19H12Cl2N2O/c20-15-4-3-5-16(21)19(15)17-12-18(24-22-17)13-6-8-14(9-7-13)23-10-1-2-11-23/h1-12H
InChIKeyWERPMWXZMBQCDJ-UHFFFAOYSA-N
XLogP6.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (CID 127041855) is 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is Clc1cccc(Cl)c1-c1cc(-c2ccc(-n3cccc3)cc2)on1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The InChIKey is WERPMWXZMBQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O/c20-15-4-3-5-16(21)19(15)17-12-18(24-22-17)13-6-8-14(9-7-13)23-10-1-2-11-23/h1-12H.
What are the key properties of 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole has a molecular weight of 355.22 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 127041855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).