2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole

C13H5Cl2NO2 — CID 167129330

IUPAC2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESClc1nc2cc3c(oc4ccccc43)c(Cl)c2o1
InChIInChI=1S/C13H5Cl2NO2/c14-10-11-7(5-8-12(10)18-13(15)16-8)6-3-1-2-4-9(6)17-11/h1-5H
InChIKeyGKPVWGIWOLKEMF-UHFFFAOYSA-N
MW278.09 g/mol
LogP5.03
Rot. Bonds

About 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole

2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole (PubChem CID 167129330) has the molecular formula C13H5Cl2NO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole
PubChem CID167129330
Molecular FormulaC13H5Cl2NO2
Molecular Weight278.09 g/mol
Exact Mass276.97
IUPAC Name2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESClc1nc2cc3c(oc4ccccc43)c(Cl)c2o1
InChIInChI=1S/C13H5Cl2NO2/c14-10-11-7(5-8-12(10)18-13(15)16-8)6-3-1-2-4-9(6)17-11/h1-5H
InChIKeyGKPVWGIWOLKEMF-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

2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123429
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
4-chlorodibenzofuran-2-ol
CID 170647423
2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
CID 147143483
N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127377
4,15,27,38-tetraoxatridecacyclo[23.21.1.12,13.03,11.05,10.014,22.016,21.026,34.028,33.036,47.037,45.039,44.024,48]octatetraconta-1(47),2,5,7,9,11,13,16,18,20,22,24(48),25,28,30,32,34,36,39,41,43,45-docosaene
CID 90365819
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
2-aminodibenzofuran-4-ol
CID 68822281
4-bromodibenzofuran-2-amine
CID 122462972
2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
12-chloro-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
CID 126656053
CID 174082898
CID 174082898

Frequently Asked Questions

What is the IUPAC name of 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole?
The IUPAC name of 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole (CID 167129330) is 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole?
The canonical SMILES for 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole is Clc1nc2cc3c(oc4ccccc43)c(Cl)c2o1.
What is the InChIKey of 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole?
The InChIKey is GKPVWGIWOLKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2NO2/c14-10-11-7(5-8-12(10)18-13(15)16-8)6-3-1-2-4-9(6)17-11/h1-5H.
What are the key properties of 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole?
2,10-dichloro-[1]benzofuro[3,2-f][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 2,10-dichloro-[1]benzofuro[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 167129330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).