2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

C22H24N2O2 — CID 126811810

IUPAC2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESCc1ccccc1C(C)Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C22H24N2O2/c1-15-8-6-7-11-18(15)16(2)14-20-23-24-22(26-20)19-12-13-25-21(19)17-9-4-3-5-10-17/h3-11,16,19,21H,12-14H2,1-2H3/t16?,19-,21+/m0/s1
InChIKeyXZJLOUKOBBBOLX-YRCPPYQGSA-N
MW348.45 g/mol
LogP4.97
Rot. Bonds5

About 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 126811810) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
PubChem CID126811810
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESCc1ccccc1C(C)Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C22H24N2O2/c1-15-8-6-7-11-18(15)16(2)14-20-23-24-22(26-20)19-12-13-25-21(19)17-9-4-3-5-10-17/h3-11,16,19,21H,12-14H2,1-2H3/t16?,19-,21+/m0/s1
InChIKeyXZJLOUKOBBBOLX-YRCPPYQGSA-N
XLogP4.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (CID 126811810) is 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is Cc1ccccc1C(C)Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1.
What is the InChIKey of 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is XZJLOUKOBBBOLX-YRCPPYQGSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-8-6-7-11-18(15)16(2)14-20-23-24-22(26-20)19-12-13-25-21(19)17-9-4-3-5-10-17/h3-11,16,19,21H,12-14H2,1-2H3/t16?,19-,21+/m0/s1.
What are the key properties of 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 348.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 126811810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).