2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C16H20N2O3 — CID 164636007

IUPAC2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(COc2ccc([C@H]3CCOC3)cc2)o1
InChIInChI=1S/C16H20N2O3/c1-11(2)16-18-17-15(21-16)10-20-14-5-3-12(4-6-14)13-7-8-19-9-13/h3-6,11,13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyLBMWGOIRWNRZEW-ZDUSSCGKSA-N
MW288.35 g/mol
LogP3.28
Rot. Bonds5

About 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 164636007) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID164636007
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(COc2ccc([C@H]3CCOC3)cc2)o1
InChIInChI=1S/C16H20N2O3/c1-11(2)16-18-17-15(21-16)10-20-14-5-3-12(4-6-14)13-7-8-19-9-13/h3-6,11,13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyLBMWGOIRWNRZEW-ZDUSSCGKSA-N
XLogP3.28
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 164636007) is 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(COc2ccc([C@H]3CCOC3)cc2)o1.
What is the InChIKey of 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is LBMWGOIRWNRZEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)16-18-17-15(21-16)10-20-14-5-3-12(4-6-14)13-7-8-19-9-13/h3-6,11,13H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 164636007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).