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

C25H26F3N5O3 — CID 144544768

IUPACN-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2noc(C3CCC3)n2)cc1NC=O.Cc1cnc2ccc(COCC(F)(F)F)cn12
InChIInChI=1S/C14H15N3O2.C11H11F3N2O/c1-9-5-6-11(7-12(9)15-8-18)13-16-14(19-17-13)10-3-2-4-10;1-8-4-15-10-3-2-9(5-16(8)10)6-17-7-11(12,13)14/h5-8,10H,2-4H2,1H3,(H,15,18);2-5H,6-7H2,1H3
InChIKeyDZULZKXMNKRZQO-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.60
Rot. Bonds7

About 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

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 (PubChem CID 144544768) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
PubChem CID144544768
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC NameN-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2noc(C3CCC3)n2)cc1NC=O.Cc1cnc2ccc(COCC(F)(F)F)cn12
InChIInChI=1S/C14H15N3O2.C11H11F3N2O/c1-9-5-6-11(7-12(9)15-8-18)13-16-14(19-17-13)10-3-2-4-10;1-8-4-15-10-3-2-9(5-16(8)10)6-17-7-11(12,13)14/h5-8,10H,2-4H2,1H3,(H,15,18);2-5H,6-7H2,1H3
InChIKeyDZULZKXMNKRZQO-UHFFFAOYSA-N
XLogP5.60
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545278
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
methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 86677462
N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
CID 139515216
3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
CID 71282794
methyl 3-[3-[3-[(6-hydroxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 171796550
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-[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-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144545153
N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051276
2-methyl-3-[3-[4-methyl-3-[[6-(methylsulfonyloxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid
CID 89423349

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2noc(C3CCC3)n2)cc1NC=O.Cc1cnc2ccc(COCC(F)(F)F)cn12.
What is the InChIKey of 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?
The InChIKey is DZULZKXMNKRZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2.C11H11F3N2O/c1-9-5-6-11(7-12(9)15-8-18)13-16-14(19-17-13)10-3-2-4-10;1-8-4-15-10-3-2-9(5-16(8)10)6-17-7-11(12,13)14/h5-8,10H,2-4H2,1H3,(H,15,18);2-5H,6-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 501.51 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144544768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).