5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one

C15H20N2O3 — CID 72714187

IUPAC5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-12-5-7-13(8-6-12)11(3)17-15(18)20-14(16-17)19-4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKeyUOGPGTWNUJZRGE-NSHDSACASA-N
MW276.34 g/mol
LogP2.65
Rot. Bonds5

About 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one

5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 72714187) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
PubChem CID72714187
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-12-5-7-13(8-6-12)11(3)17-15(18)20-14(16-17)19-4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKeyUOGPGTWNUJZRGE-NSHDSACASA-N
XLogP2.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one (CID 72714187) is 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one is COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is UOGPGTWNUJZRGE-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)9-12-5-7-13(8-6-12)11(3)17-15(18)20-14(16-17)19-4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one?
5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 72714187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).