2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole

C25H30N2O — CID 163447963

IUPAC2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCC(C)C1(C)CC(C)(C)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc21
InChIInChI=1S/C25H30N2O/c1-7-17(3)25(6)15-24(4,5)20-13-12-19(14-21(20)25)23-27-26-22(28-23)18-10-8-16(2)9-11-18/h8-14,17H,7,15H2,1-6H3
InChIKeyBECUYDIBDYOKTH-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.70
Rot. Bonds4

About 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole

2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 163447963) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID163447963
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCC(C)C1(C)CC(C)(C)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc21
InChIInChI=1S/C25H30N2O/c1-7-17(3)25(6)15-24(4,5)20-13-12-19(14-21(20)25)23-27-26-22(28-23)18-10-8-16(2)9-11-18/h8-14,17H,7,15H2,1-6H3
InChIKeyBECUYDIBDYOKTH-UHFFFAOYSA-N
XLogP6.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 163447963) is 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is CCC(C)C1(C)CC(C)(C)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc21.
What is the InChIKey of 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is BECUYDIBDYOKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-7-17(3)25(6)15-24(4,5)20-13-12-19(14-21(20)25)23-27-26-22(28-23)18-10-8-16(2)9-11-18/h8-14,17H,7,15H2,1-6H3.
What are the key properties of 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 374.53 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-1,1,3-trimethyl-2H-inden-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 163447963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).