1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one

C18H20N6O2 — CID 123271775

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one
SMILESCc1noc(C)c1Cn1cc(N2CCN(Cc3ccccn3)C2=O)cn1
InChIInChI=1S/C18H20N6O2/c1-13-17(14(2)26-21-13)12-23-11-16(9-20-23)24-8-7-22(18(24)25)10-15-5-3-4-6-19-15/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyVCODZIHEEBTKEO-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.37
Rot. Bonds5

About 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one (PubChem CID 123271775) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one
PubChem CID123271775
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one
SMILESCc1noc(C)c1Cn1cc(N2CCN(Cc3ccccn3)C2=O)cn1
InChIInChI=1S/C18H20N6O2/c1-13-17(14(2)26-21-13)12-23-11-16(9-20-23)24-8-7-22(18(24)25)10-15-5-3-4-6-19-15/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyVCODZIHEEBTKEO-UHFFFAOYSA-N
XLogP2.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazinan-2-one
CID 57422418
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione
CID 57422470
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidin-4-one
CID 123607356
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione;ethane
CID 143767126
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422433
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione
CID 71029635
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 57422465
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylideneimidazolidin-4-one
CID 118075109
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 58409600
1-[(2-aminophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
CID 91192572

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one (CID 123271775) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one is Cc1noc(C)c1Cn1cc(N2CCN(Cc3ccccn3)C2=O)cn1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is VCODZIHEEBTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-17(14(2)26-21-13)12-23-11-16(9-20-23)24-8-7-22(18(24)25)10-15-5-3-4-6-19-15/h3-6,9,11H,7-8,10,12H2,1-2H3.
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 352.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 123271775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).