N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide

C15H16FN3O3 — CID 126429340

IUPACN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCOC1)NCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-11(2-4-12)15-18-14(22-19-15)8-17-13(20)7-10-5-6-21-9-10/h1-4,10H,5-9H2,(H,17,20)/t10-/m0/s1
InChIKeyFOYNGMADGSTYCX-JTQLQIEISA-N
MW305.31 g/mol
LogP1.92
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide (PubChem CID 126429340) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
PubChem CID126429340
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCOC1)NCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-11(2-4-12)15-18-14(22-19-15)8-17-13(20)7-10-5-6-21-9-10/h1-4,10H,5-9H2,(H,17,20)/t10-/m0/s1
InChIKeyFOYNGMADGSTYCX-JTQLQIEISA-N
XLogP1.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide (CID 126429340) is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide is O=C(C[C@@H]1CCOC1)NCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide?
The InChIKey is FOYNGMADGSTYCX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-12-3-1-11(2-4-12)15-18-14(22-19-15)8-17-13(20)7-10-5-6-21-9-10/h1-4,10H,5-9H2,(H,17,20)/t10-/m0/s1.
What are the key properties of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide?
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide has a molecular weight of 305.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide is sourced from PubChem (CID 126429340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).