N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide

C17H16FN3O4 — CID 94510114

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
SMILESC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nc(-c2ccco2)oc1=O
InChIInChI=1S/C17H16FN3O4/c1-11(12-5-7-13(18)8-6-12)20(2)15(22)10-21-17(23)25-16(19-21)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyNZUBQXYDZJMMBM-LLVKDONJSA-N
MW345.33 g/mol
LogP2.45
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 94510114) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID94510114
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
SMILESC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nc(-c2ccco2)oc1=O
InChIInChI=1S/C17H16FN3O4/c1-11(12-5-7-13(18)8-6-12)20(2)15(22)10-21-17(23)25-16(19-21)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyNZUBQXYDZJMMBM-LLVKDONJSA-N
XLogP2.45
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide (CID 94510114) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide is C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nc(-c2ccco2)oc1=O.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is NZUBQXYDZJMMBM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-11(12-5-7-13(18)8-6-12)20(2)15(22)10-21-17(23)25-16(19-21)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 345.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 94510114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).