2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole

C13H5Cl2NO2 — CID 167123429

IUPAC2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESClc1nc2cc(Cl)c3oc4ccccc4c3c2o1
InChIInChI=1S/C13H5Cl2NO2/c14-7-5-8-12(18-13(15)16-8)10-6-3-1-2-4-9(6)17-11(7)10/h1-5H
InChIKeyYALHAMIMPOLOPI-UHFFFAOYSA-N
MW278.09 g/mol
LogP5.03
Rot. Bonds

About 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole

2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167123429) has the molecular formula C13H5Cl2NO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167123429
Molecular FormulaC13H5Cl2NO2
Molecular Weight278.09 g/mol
Exact Mass276.97
IUPAC Name2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESClc1nc2cc(Cl)c3oc4ccccc4c3c2o1
InChIInChI=1S/C13H5Cl2NO2/c14-7-5-8-12(18-13(15)16-8)10-6-3-1-2-4-9(6)17-11(7)10/h1-5H
InChIKeyYALHAMIMPOLOPI-UHFFFAOYSA-N
XLogP5.03
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.09
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167129330
16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 146441792
2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole
CID 172728490
2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
4-chlorodibenzofuran-2-ol
CID 170647423
2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454354
2-(11-chloronaphtho[2,3-b][1]benzofuran-6-yl)-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167348113
4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 166975828
2,4-dichloroxanthene-9-thione
CID 57256472
2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162712574

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167123429) is 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole is Clc1nc2cc(Cl)c3oc4ccccc4c3c2o1.
What is the InChIKey of 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is YALHAMIMPOLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2NO2/c14-7-5-8-12(18-13(15)16-8)10-6-3-1-2-4-9(6)17-11(7)10/h1-5H.
What are the key properties of 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole?
2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 278.09 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).