2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole

C26H17N3O — CID 136746089

IUPAC2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2[nH]c3ccccc3c2-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C26H17N3O/c1-2-10-18(11-3-1)24-23(21-14-6-7-16-22(21)27-24)26-29-28-25(30-26)20-15-8-12-17-9-4-5-13-19(17)20/h1-16,27H
InChIKeyQZZOAPKTPPVOCH-UHFFFAOYSA-N
MW387.44 g/mol
LogP6.71
Rot. Bonds3

About 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole

2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 136746089) has the molecular formula C26H17N3O and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID136746089
Molecular FormulaC26H17N3O
Molecular Weight387.44 g/mol
Exact Mass387.14
IUPAC Name2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2[nH]c3ccccc3c2-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C26H17N3O/c1-2-10-18(11-3-1)24-23(21-14-6-7-16-22(21)27-24)26-29-28-25(30-26)20-15-8-12-17-9-4-5-13-19(17)20/h1-16,27H
InChIKeyQZZOAPKTPPVOCH-UHFFFAOYSA-N
XLogP6.71
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
diphenyl-[1-(2-phenyl-1H-indol-3-yl)naphthalen-2-yl]phosphane
CID 164683402
2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole
CID 142721466
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 23561823
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
CID 171393922
2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
CID 146763008

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole (CID 136746089) is 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole is c1ccc(-c2[nH]c3ccccc3c2-c2nnc(-c3cccc4ccccc34)o2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is QZZOAPKTPPVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O/c1-2-10-18(11-3-1)24-23(21-14-6-7-16-22(21)27-24)26-29-28-25(30-26)20-15-8-12-17-9-4-5-13-19(17)20/h1-16,27H.
What are the key properties of 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 136746089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).