1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one

C13H14N4O2 — CID 126837717

IUPAC1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one
SMILESCc1ccc(-c2noc(C3CN(C)C(=O)N3)n2)cc1
InChIInChI=1S/C13H14N4O2/c1-8-3-5-9(6-4-8)11-15-12(19-16-11)10-7-17(2)13(18)14-10/h3-6,10H,7H2,1-2H3,(H,14,18)
InChIKeyFYACIASEHWJIQR-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.74
Rot. Bonds2

About 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one

1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one (PubChem CID 126837717) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one
PubChem CID126837717
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one
SMILESCc1ccc(-c2noc(C3CN(C)C(=O)N3)n2)cc1
InChIInChI=1S/C13H14N4O2/c1-8-3-5-9(6-4-8)11-15-12(19-16-11)10-7-17(2)13(18)14-10/h3-6,10H,7H2,1-2H3,(H,14,18)
InChIKeyFYACIASEHWJIQR-UHFFFAOYSA-N
XLogP1.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994059
(2S,3S)-2-amino-3-{3-[2-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(pyrrolidin-1-yl)butan-1-one
CID 23645687
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 16189892
(2S,3S)-3-hydroxy-N-(4-(5-pentyl-1,2,4-oxadiazol-3-yl)benzyl)pyrrolidine-2-carboxamide
CID 45256919
(2S)-2-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 71661218
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686
(2S,3S)-2-amino-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645689
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645690
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645692
(2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}butan-1-one
CID 23645695
(2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645700
1-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 648164

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one (CID 126837717) is 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one is Cc1ccc(-c2noc(C3CN(C)C(=O)N3)n2)cc1.
What is the InChIKey of 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one?
The InChIKey is FYACIASEHWJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-3-5-9(6-4-8)11-15-12(19-16-11)10-7-17(2)13(18)14-10/h3-6,10H,7H2,1-2H3,(H,14,18).
What are the key properties of 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one?
1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 126837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).