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

C15H16FN3O3 — CID 45190975

IUPACN-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(C2(c3ccc(F)cc3)CCOC2)no1
InChIInChI=1S/C15H16FN3O3/c1-10(20)17-8-13-18-14(19-22-13)15(6-7-21-9-15)11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,20)
InChIKeyDDERMABAPRKSPI-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.55
Rot. Bonds4

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

N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 45190975) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID45190975
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(C2(c3ccc(F)cc3)CCOC2)no1
InChIInChI=1S/C15H16FN3O3/c1-10(20)17-8-13-18-14(19-22-13)15(6-7-21-9-15)11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,20)
InChIKeyDDERMABAPRKSPI-UHFFFAOYSA-N
XLogP1.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 45190975) is N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(=O)NCc1nc(C2(c3ccc(F)cc3)CCOC2)no1.
What is the InChIKey of N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is DDERMABAPRKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-10(20)17-8-13-18-14(19-22-13)15(6-7-21-9-15)11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,20).
What are the key properties of N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 305.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 45190975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).