2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole

C19H10ClNO2 — CID 172728490

IUPAC2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3ccccc3o2)c2oc3ccccc3c12
InChIInChI=1S/C19H10ClNO2/c20-13-10-9-12(19-21-14-6-2-4-8-16(14)23-19)18-17(13)11-5-1-3-7-15(11)22-18/h1-10H
InChIKeyHLXGNCXCIBQBSB-UHFFFAOYSA-N
MW319.75 g/mol
LogP6.05
Rot. Bonds1

About 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole

2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole (PubChem CID 172728490) has the molecular formula C19H10ClNO2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole
PubChem CID172728490
Molecular FormulaC19H10ClNO2
Molecular Weight319.75 g/mol
Exact Mass319.04
IUPAC Name2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3ccccc3o2)c2oc3ccccc3c12
InChIInChI=1S/C19H10ClNO2/c20-13-10-9-12(19-21-14-6-2-4-8-16(14)23-19)18-17(13)11-5-1-3-7-15(11)22-18/h1-10H
InChIKeyHLXGNCXCIBQBSB-UHFFFAOYSA-N
XLogP6.05
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.75
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
CID 147547147
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
CID 135841605
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 171755349
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
CID 155402854
6-(1,3-benzoxazol-2-yl)benzo[de]isoquinoline-1,3-dione
CID 155420196
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
2-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
CID 146513479

Frequently Asked Questions

What is the IUPAC name of 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole (CID 172728490) is 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole is Clc1ccc(-c2nc3ccccc3o2)c2oc3ccccc3c12.
What is the InChIKey of 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole?
The InChIKey is HLXGNCXCIBQBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClNO2/c20-13-10-9-12(19-21-14-6-2-4-8-16(14)23-19)18-17(13)11-5-1-3-7-15(11)22-18/h1-10H.
What are the key properties of 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole?
2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole has a molecular weight of 319.75 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 172728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).