2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole

C27H25N3O2 — CID 58986339

IUPAC2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(c1)c(-c1nnc(-c3ccccc3)o1)c(C(C)C)n2Cc1ccccc1
InChIInChI=1S/C27H25N3O2/c1-18(2)25-24(27-29-28-26(32-27)20-12-8-5-9-13-20)22-16-21(31-3)14-15-23(22)30(25)17-19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3
InChIKeyVARLFKPIGKRQAR-UHFFFAOYSA-N
MW423.52 g/mol
LogP6.54
Rot. Bonds6

About 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole

2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 58986339) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID58986339
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(c1)c(-c1nnc(-c3ccccc3)o1)c(C(C)C)n2Cc1ccccc1
InChIInChI=1S/C27H25N3O2/c1-18(2)25-24(27-29-28-26(32-27)20-12-8-5-9-13-20)22-16-21(31-3)14-15-23(22)30(25)17-19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3
InChIKeyVARLFKPIGKRQAR-UHFFFAOYSA-N
XLogP6.54
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole (CID 58986339) is 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole is COc1ccc2c(c1)c(-c1nnc(-c3ccccc3)o1)c(C(C)C)n2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is VARLFKPIGKRQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18(2)25-24(27-29-28-26(32-27)20-12-8-5-9-13-20)22-16-21(31-3)14-15-23(22)30(25)17-19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3.
What are the key properties of 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 423.52 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 58986339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).