5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C15H15ClN2O2 — CID 97011110

IUPAC5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1cccc(C2(c3nc([C@H]4CCOC4)no3)CC2)c1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-2-11(8-12)15(5-6-15)14-17-13(18-20-14)10-4-7-19-9-10/h1-3,8,10H,4-7,9H2/t10-/m0/s1
InChIKeyVIYLLQMCFLEBLL-JTQLQIEISA-N
MW290.75 g/mol
LogP3.31
Rot. Bonds3

About 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97011110) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97011110
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1cccc(C2(c3nc([C@H]4CCOC4)no3)CC2)c1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-2-11(8-12)15(5-6-15)14-17-13(18-20-14)10-4-7-19-9-10/h1-3,8,10H,4-7,9H2/t10-/m0/s1
InChIKeyVIYLLQMCFLEBLL-JTQLQIEISA-N
XLogP3.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97011110) is 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Clc1cccc(C2(c3nc([C@H]4CCOC4)no3)CC2)c1.
What is the InChIKey of 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is VIYLLQMCFLEBLL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-3-1-2-11(8-12)15(5-6-15)14-17-13(18-20-14)10-4-7-19-9-10/h1-3,8,10H,4-7,9H2/t10-/m0/s1.
What are the key properties of 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 290.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)cyclopropyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97011110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).