2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole

C17H10Cl2N2O — CID 91675105

IUPAC2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
SMILESClc1cccc(-c2nc3ccc(-n4cccc4)cc3o2)c1Cl
InChIInChI=1S/C17H10Cl2N2O/c18-13-5-3-4-12(16(13)19)17-20-14-7-6-11(10-15(14)22-17)21-8-1-2-9-21/h1-10H
InChIKeySEUFYVLHPRZBIR-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.59
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole

2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole (PubChem CID 91675105) has the molecular formula C17H10Cl2N2O and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
PubChem CID91675105
Molecular FormulaC17H10Cl2N2O
Molecular Weight329.19 g/mol
Exact Mass328.02
IUPAC Name2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
SMILESClc1cccc(-c2nc3ccc(-n4cccc4)cc3o2)c1Cl
InChIInChI=1S/C17H10Cl2N2O/c18-13-5-3-4-12(16(13)19)17-20-14-7-6-11(10-15(14)22-17)21-8-1-2-9-21/h1-10H
InChIKeySEUFYVLHPRZBIR-UHFFFAOYSA-N
XLogP5.59
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole (CID 91675105) is 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole is Clc1cccc(-c2nc3ccc(-n4cccc4)cc3o2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
The InChIKey is SEUFYVLHPRZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O/c18-13-5-3-4-12(16(13)19)17-20-14-7-6-11(10-15(14)22-17)21-8-1-2-9-21/h1-10H.
What are the key properties of 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole has a molecular weight of 329.19 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole is sourced from PubChem (CID 91675105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).