2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole

C16H21ClN2O2 — CID 170359543

IUPAC2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole
SMILESCC[C@@H](OCC(C)Cc1ccc(Cl)cc1)c1nnc(C)o1
InChIInChI=1S/C16H21ClN2O2/c1-4-15(16-19-18-12(3)21-16)20-10-11(2)9-13-5-7-14(17)8-6-13/h5-8,11,15H,4,9-10H2,1-3H3/t11?,15-/m1/s1
InChIKeyWMCZDSJDCZAZLN-JOPIAHFSSA-N
MW308.81 g/mol
LogP4.38
Rot. Bonds7

About 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole

2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 170359543) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole
PubChem CID170359543
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole
SMILESCC[C@@H](OCC(C)Cc1ccc(Cl)cc1)c1nnc(C)o1
InChIInChI=1S/C16H21ClN2O2/c1-4-15(16-19-18-12(3)21-16)20-10-11(2)9-13-5-7-14(17)8-6-13/h5-8,11,15H,4,9-10H2,1-3H3/t11?,15-/m1/s1
InChIKeyWMCZDSJDCZAZLN-JOPIAHFSSA-N
XLogP4.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole (CID 170359543) is 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole is CC[C@@H](OCC(C)Cc1ccc(Cl)cc1)c1nnc(C)o1.
What is the InChIKey of 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WMCZDSJDCZAZLN-JOPIAHFSSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-15(16-19-18-12(3)21-16)20-10-11(2)9-13-5-7-14(17)8-6-13/h5-8,11,15H,4,9-10H2,1-3H3/t11?,15-/m1/s1.
What are the key properties of 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole?
2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 308.81 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 170359543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).