3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one

C18H14FN5O2 — CID 167877088

IUPAC3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1cnc(F)c(-c2nc(-c3ccc(-n4c(C)c[nH]c4=O)cc3)no2)c1
InChIInChI=1S/C18H14FN5O2/c1-10-7-14(15(19)20-8-10)17-22-16(23-26-17)12-3-5-13(6-4-12)24-11(2)9-21-18(24)25/h3-9H,1-2H3,(H,21,25)
InChIKeyIPIWXTGPEQSXFW-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.03
Rot. Bonds3

About 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one

3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 167877088) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID167877088
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1cnc(F)c(-c2nc(-c3ccc(-n4c(C)c[nH]c4=O)cc3)no2)c1
InChIInChI=1S/C18H14FN5O2/c1-10-7-14(15(19)20-8-10)17-22-16(23-26-17)12-3-5-13(6-4-12)24-11(2)9-21-18(24)25/h3-9H,1-2H3,(H,21,25)
InChIKeyIPIWXTGPEQSXFW-UHFFFAOYSA-N
XLogP3.03
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one (CID 167877088) is 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one is Cc1cnc(F)c(-c2nc(-c3ccc(-n4c(C)c[nH]c4=O)cc3)no2)c1.
What is the InChIKey of 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is IPIWXTGPEQSXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-10-7-14(15(19)20-8-10)17-22-16(23-26-17)12-3-5-13(6-4-12)24-11(2)9-21-18(24)25/h3-9H,1-2H3,(H,21,25).
What are the key properties of 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 351.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 167877088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).