3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

C16H18N2O2 — CID 154783131

IUPAC3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCCCO4)no3)CC2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-6-12(7-3-1)16(9-10-16)15-17-14(18-20-15)13-8-4-5-11-19-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyZJYQZEAQVDTZBR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds3

About 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 154783131) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID154783131
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCCCO4)no3)CC2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-6-12(7-3-1)16(9-10-16)15-17-14(18-20-15)13-8-4-5-11-19-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyZJYQZEAQVDTZBR-UHFFFAOYSA-N
XLogP3.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (CID 154783131) is 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is c1ccc(C2(c3nc(C4CCCCO4)no3)CC2)cc1.
What is the InChIKey of 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is ZJYQZEAQVDTZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-6-12(7-3-1)16(9-10-16)15-17-14(18-20-15)13-8-4-5-11-19-13/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 270.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).