4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C20H10Cl2N2O2 — CID 134923956

IUPAC4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESClc1c2nc(-c3ccccc3)oc2c(Cl)c2nc(-c3ccccc3)oc12
InChIInChI=1S/C20H10Cl2N2O2/c21-13-15-17(25-19(23-15)11-7-3-1-4-8-11)14(22)16-18(13)26-20(24-16)12-9-5-2-6-10-12/h1-10H
InChIKeyPCNSKZXLBBJTRE-UHFFFAOYSA-N
MW381.22 g/mol
LogP6.61
Rot. Bonds2

About 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 134923956) has the molecular formula C20H10Cl2N2O2 and a molecular weight of 381.22 g/mol. Its IUPAC name is 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID134923956
Molecular FormulaC20H10Cl2N2O2
Molecular Weight381.22 g/mol
Exact Mass380.01
IUPAC Name4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESClc1c2nc(-c3ccccc3)oc2c(Cl)c2nc(-c3ccccc3)oc12
InChIInChI=1S/C20H10Cl2N2O2/c21-13-15-17(25-19(23-15)11-7-3-1-4-8-11)14(22)16-18(13)26-20(24-16)12-9-5-2-6-10-12/h1-10H
InChIKeyPCNSKZXLBBJTRE-UHFFFAOYSA-N
XLogP6.61
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.22
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid
CID 14071832
4-chloro-2-phenyl-1,3-oxazol-5-amine
CID 69335141
5-chloro-2-phenyl-1,3-oxazol-4-ol
CID 141006928
4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
CID 82234163
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123613
10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine
CID 118532545
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177089709
8-chloro-12-methyl-4-phenyl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaene
CID 21083919

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 134923956) is 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is Clc1c2nc(-c3ccccc3)oc2c(Cl)c2nc(-c3ccccc3)oc12.
What is the InChIKey of 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is PCNSKZXLBBJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O2/c21-13-15-17(25-19(23-15)11-7-3-1-4-8-11)14(22)16-18(13)26-20(24-16)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 381.22 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 134923956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).