2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole

C18H18N2O2 — CID 97437656

IUPAC2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCO[C@H](C)c1cccc(-c2cccc(-c3nnc(C)o3)c2)c1
InChIInChI=1S/C18H18N2O2/c1-12(21-3)14-6-4-7-15(10-14)16-8-5-9-17(11-16)18-20-19-13(2)22-18/h4-12H,1-3H3/t12-/m1/s1
InChIKeyHBHGONDGTGOECU-GFCCVEGCSA-N
MW294.35 g/mol
LogP4.42
Rot. Bonds4

About 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole

2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 97437656) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID97437656
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCO[C@H](C)c1cccc(-c2cccc(-c3nnc(C)o3)c2)c1
InChIInChI=1S/C18H18N2O2/c1-12(21-3)14-6-4-7-15(10-14)16-8-5-9-17(11-16)18-20-19-13(2)22-18/h4-12H,1-3H3/t12-/m1/s1
InChIKeyHBHGONDGTGOECU-GFCCVEGCSA-N
XLogP4.42
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole (CID 97437656) is 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole is CO[C@H](C)c1cccc(-c2cccc(-c3nnc(C)o3)c2)c1.
What is the InChIKey of 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is HBHGONDGTGOECU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(21-3)14-6-4-7-15(10-14)16-8-5-9-17(11-16)18-20-19-13(2)22-18/h4-12H,1-3H3/t12-/m1/s1.
What are the key properties of 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 97437656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).