5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one

C11H12N2O3 — CID 13488172

IUPAC5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C11H12N2O3/c1-8(9-6-4-3-5-7-9)13-11(14)16-10(12-13)15-2/h3-8H,1-2H3
InChIKeyNMXLXWREEUTJIT-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.45
Rot. Bonds3

About 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one

5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one (PubChem CID 13488172) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
PubChem CID13488172
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C11H12N2O3/c1-8(9-6-4-3-5-7-9)13-11(14)16-10(12-13)15-2/h3-8H,1-2H3
InChIKeyNMXLXWREEUTJIT-UHFFFAOYSA-N
XLogP1.45
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one (CID 13488172) is 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one is COc1nn(C(C)c2ccccc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is NMXLXWREEUTJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(9-6-4-3-5-7-9)13-11(14)16-10(12-13)15-2/h3-8H,1-2H3.
What are the key properties of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 220.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 13488172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).