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

C18H17FN4O3 — CID 53141589

IUPAC2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2nc(-c3ccccc3F)no2)cccc1=O
InChIInChI=1S/C18H17FN4O3/c1-11(2)20-15(24)10-23-14(8-5-9-16(23)25)18-21-17(22-26-18)12-6-3-4-7-13(12)19/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyHQWOCVLDPLENKE-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.23
Rot. Bonds5

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

2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 53141589) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID53141589
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2nc(-c3ccccc3F)no2)cccc1=O
InChIInChI=1S/C18H17FN4O3/c1-11(2)20-15(24)10-23-14(8-5-9-16(23)25)18-21-17(22-26-18)12-6-3-4-7-13(12)19/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyHQWOCVLDPLENKE-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

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

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Related Compounds

2-[2-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 53141525
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]-N-phenylacetamide
CID 53141456
2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide
CID 53141559
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53141444
2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 50755911
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 62716626
1-butan-2-yl-3-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 46321489
2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide
CID 71794447
3-(2-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084261
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 50970826
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 53141589) is 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2nc(-c3ccccc3F)no2)cccc1=O.
What is the InChIKey of 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is HQWOCVLDPLENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11(2)20-15(24)10-23-14(8-5-9-16(23)25)18-21-17(22-26-18)12-6-3-4-7-13(12)19/h3-9,11H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[2-[3-(2-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-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53141589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).