2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide

C18H17FN4O3 — CID 53141546

IUPAC2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2nc(-c3ccc(F)cc3)no2)cccc1=O
InChIInChI=1S/C18H17FN4O3/c1-11(2)20-15(24)10-23-14(4-3-5-16(23)25)18-21-17(22-26-18)12-6-8-13(19)9-7-12/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyAMQIZTHEVCRLOC-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.23
Rot. Bonds5

About 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide

2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 53141546) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID53141546
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2nc(-c3ccc(F)cc3)no2)cccc1=O
InChIInChI=1S/C18H17FN4O3/c1-11(2)20-15(24)10-23-14(4-3-5-16(23)25)18-21-17(22-26-18)12-6-8-13(19)9-7-12/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyAMQIZTHEVCRLOC-UHFFFAOYSA-N
XLogP2.23
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 53141546) is 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2nc(-c3ccc(F)cc3)no2)cccc1=O.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is AMQIZTHEVCRLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11(2)20-15(24)10-23-14(4-3-5-16(23)25)18-21-17(22-26-18)12-6-8-13(19)9-7-12/h3-9,11H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 356.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53141546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).