5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C19H26N2O2 — CID 72840557

IUPAC5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(CCCc2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)16-9-7-14(8-10-16)5-4-6-17-20-18(21-23-17)15-11-12-22-13-15/h7-10,15H,4-6,11-13H2,1-3H3
InChIKeyNLTWJEOAYBAUGT-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.05
Rot. Bonds5

About 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72840557) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72840557
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(CCCc2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)16-9-7-14(8-10-16)5-4-6-17-20-18(21-23-17)15-11-12-22-13-15/h7-10,15H,4-6,11-13H2,1-3H3
InChIKeyNLTWJEOAYBAUGT-UHFFFAOYSA-N
XLogP4.05
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72840557) is 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is CC(C)(C)c1ccc(CCCc2nc(C3CCOC3)no2)cc1.
What is the InChIKey of 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is NLTWJEOAYBAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)16-9-7-14(8-10-16)5-4-6-17-20-18(21-23-17)15-11-12-22-13-15/h7-10,15H,4-6,11-13H2,1-3H3.
What are the key properties of 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 314.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-tert-butylphenyl)propyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72840557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).