3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole

C42H34N6O — CID 121244988

IUPAC3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole
SMILESCCN1c2ccccc2N(c2ccc(-c3noc(-c4ccc(N5c6ccccc6N(CC)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C42H34N6O/c1-3-45-33-13-5-9-17-37(33)47(38-18-10-6-14-34(38)45)31-25-21-29(22-26-31)41-43-42(49-44-41)30-23-27-32(28-24-30)48-39-19-11-7-15-35(39)46(4-2)36-16-8-12-20-40(36)48/h5-28H,3-4H2,1-2H3
InChIKeyMSEWSYLNXITLRO-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.29
Rot. Bonds6

About 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole

3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 121244988) has the molecular formula C42H34N6O and a molecular weight of 638.77 g/mol. Its IUPAC name is 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole
PubChem CID121244988
Molecular FormulaC42H34N6O
Molecular Weight638.77 g/mol
Exact Mass638.28
IUPAC Name3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole
SMILESCCN1c2ccccc2N(c2ccc(-c3noc(-c4ccc(N5c6ccccc6N(CC)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C42H34N6O/c1-3-45-33-13-5-9-17-37(33)47(38-18-10-6-14-34(38)45)31-25-21-29(22-26-31)41-43-42(49-44-41)30-23-27-32(28-24-30)48-39-19-11-7-15-35(39)46(4-2)36-16-8-12-20-40(36)48/h5-28H,3-4H2,1-2H3
InChIKeyMSEWSYLNXITLRO-UHFFFAOYSA-N
XLogP11.29
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-ethylphenazine
CID 121244864
10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine
CID 121245052
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823022
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
CID 59499367

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole (CID 121244988) is 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole is CCN1c2ccccc2N(c2ccc(-c3noc(-c4ccc(N5c6ccccc6N(CC)c6ccccc65)cc4)n3)cc2)c2ccccc21.
What is the InChIKey of 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MSEWSYLNXITLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N6O/c1-3-45-33-13-5-9-17-37(33)47(38-18-10-6-14-34(38)45)31-25-21-29(22-26-31)41-43-42(49-44-41)30-23-27-32(28-24-30)48-39-19-11-7-15-35(39)46(4-2)36-16-8-12-20-40(36)48/h5-28H,3-4H2,1-2H3.
What are the key properties of 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole?
3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 638.77 g/mol, XLogP of 11.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 121244988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).