4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

C28H26N4O2 — CID 10114846

IUPAC4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESc1ccc(-c2ccc(-c3noc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C28H26N4O2/c1-2-6-21(7-3-1)22-10-12-23(13-11-22)27-29-28(34-30-27)25-20-32(26-9-5-4-8-24(25)26)15-14-31-16-18-33-19-17-31/h1-13,20H,14-19H2
InChIKeyPCEQBWZVPPASSA-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.36
Rot. Bonds6

About 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (PubChem CID 10114846) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
PubChem CID10114846
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESc1ccc(-c2ccc(-c3noc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C28H26N4O2/c1-2-6-21(7-3-1)22-10-12-23(13-11-22)27-29-28(34-30-27)25-20-32(26-9-5-4-8-24(25)26)15-14-31-16-18-33-19-17-31/h1-13,20H,14-19H2
InChIKeyPCEQBWZVPPASSA-UHFFFAOYSA-N
XLogP5.36
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-(3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)-ethyl)morpholine
CID 10156261
3-(1-Azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810899
3-Benzyl-5-(1-pentyl-1H-indol-3-yl)-1,2,4-oxadiazole
CID 9924288
4-(2-(3-(3-(4-Methoxybenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10158990
3-Benzyl-5-1-(2-(piperidine-1-yl)ethyl)-1H-indol-3-yl)-1,2,4-oxadiazole
CID 10200181
4-(2-(3-(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10200677
3-[3-Benzyl-[1,2,4]oxadiazol-5-yl]-1-(2-morpholin-4-yl-ethyl)-1H-indole
CID 10271599
4-(2-(3-(3-Phenethyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10294538
4-(2-(3-(3-(4-Bromobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339933
4-(2-(3-(3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339945
US10301306, Example 13
CID 121417749
Cambridge id 7015548
CID 1328909

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (CID 10114846) is 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is c1ccc(-c2ccc(-c3noc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is PCEQBWZVPPASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-2-6-21(7-3-1)22-10-12-23(13-11-22)27-29-28(34-30-27)25-20-32(26-9-5-4-8-24(25)26)15-14-31-16-18-33-19-17-31/h1-13,20H,14-19H2.
What are the key properties of 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 450.54 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 10114846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).