1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone

C15H15FN2O3 — CID 95781661

IUPAC1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(O[C@@H](C)c2nc(C3CC3)no2)cc1F
InChIInChI=1S/C15H15FN2O3/c1-8(19)12-6-5-11(7-13(12)16)20-9(2)15-17-14(18-21-15)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyODTIDZAWFPPBPF-VIFPVBQESA-N
MW290.29 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone

1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone (PubChem CID 95781661) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone
PubChem CID95781661
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(O[C@@H](C)c2nc(C3CC3)no2)cc1F
InChIInChI=1S/C15H15FN2O3/c1-8(19)12-6-5-11(7-13(12)16)20-9(2)15-17-14(18-21-15)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyODTIDZAWFPPBPF-VIFPVBQESA-N
XLogP3.43
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone (CID 95781661) is 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone is CC(=O)c1ccc(O[C@@H](C)c2nc(C3CC3)no2)cc1F.
What is the InChIKey of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone?
The InChIKey is ODTIDZAWFPPBPF-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-8(19)12-6-5-11(7-13(12)16)20-9(2)15-17-14(18-21-15)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone?
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone has a molecular weight of 290.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 95781661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).