N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine

C21H22N6O2 — CID 144545278

IUPACN-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2noc(C3CNC3)n2)cc1NC=O.Cc1cnc2ccccn12
InChIInChI=1S/C13H14N4O2.C8H8N2/c1-8-2-3-9(4-11(8)15-7-18)12-16-13(19-17-12)10-5-14-6-10;1-7-6-9-8-4-2-3-5-10(7)8/h2-4,7,10,14H,5-6H2,1H3,(H,15,18);2-6H,1H3
InChIKeyYJRHBZHCKCWNGM-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.94
Rot. Bonds4

About N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine

N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine (PubChem CID 144545278) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound NameN-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine
PubChem CID144545278
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2noc(C3CNC3)n2)cc1NC=O.Cc1cnc2ccccn12
InChIInChI=1S/C13H14N4O2.C8H8N2/c1-8-2-3-9(4-11(8)15-7-18)12-16-13(19-17-12)10-5-14-6-10;1-7-6-9-8-4-2-3-5-10(7)8/h2-4,7,10,14H,5-6H2,1H3,(H,15,18);2-6H,1H3
InChIKeyYJRHBZHCKCWNGM-UHFFFAOYSA-N
XLogP2.94
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl formate;3-methylimidazo[1,2-a]pyridine;N-[2-methyl-5-[5-[3-(methylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]formamide
CID 144544810
N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545275
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
CID 123942811
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
CID 144544768
N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
CID 139515216
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
N-[2-methyl-5-[5-[(2R)-4-oxopyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796718
N-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine?
The IUPAC name of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine (CID 144545278) is N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine is Cc1ccc(-c2noc(C3CNC3)n2)cc1NC=O.Cc1cnc2ccccn12.
What is the InChIKey of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine?
The InChIKey is YJRHBZHCKCWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2.C8H8N2/c1-8-2-3-9(4-11(8)15-7-18)12-16-13(19-17-12)10-5-14-6-10;1-7-6-9-8-4-2-3-5-10(7)8/h2-4,7,10,14H,5-6H2,1H3,(H,15,18);2-6H,1H3.
What are the key properties of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine?
N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine has a molecular weight of 390.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 144545278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).