2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole

C16H20N2O2 — CID 56784751

IUPAC2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C2(c3ccccc3)CCOCC2)o1
InChIInChI=1S/C16H20N2O2/c1-12(2)14-17-18-15(20-14)16(8-10-19-11-9-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyMQUKQSYVODKCCV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole

2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 56784751) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID56784751
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C2(c3ccccc3)CCOCC2)o1
InChIInChI=1S/C16H20N2O2/c1-12(2)14-17-18-15(20-14)16(8-10-19-11-9-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyMQUKQSYVODKCCV-UHFFFAOYSA-N
XLogP3.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole (CID 56784751) is 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C2(c3ccccc3)CCOCC2)o1.
What is the InChIKey of 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is MQUKQSYVODKCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)14-17-18-15(20-14)16(8-10-19-11-9-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 56784751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).