3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one

C17H19N7O3 — CID 90701370

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one
SMILESCc1noc(C)c1Cn1cc(-n2c(O)cn(Cc3ccn(C)n3)c2=O)cn1
InChIInChI=1S/C17H19N7O3/c1-11-15(12(2)27-20-11)9-23-8-14(6-18-23)24-16(25)10-22(17(24)26)7-13-4-5-21(3)19-13/h4-6,8,10,25H,7,9H2,1-3H3
InChIKeyVVLVJIBGKQMSMQ-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.98
Rot. Bonds5

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one (PubChem CID 90701370) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one
PubChem CID90701370
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one
SMILESCc1noc(C)c1Cn1cc(-n2c(O)cn(Cc3ccn(C)n3)c2=O)cn1
InChIInChI=1S/C17H19N7O3/c1-11-15(12(2)27-20-11)9-23-8-14(6-18-23)24-16(25)10-22(17(24)26)7-13-4-5-21(3)19-13/h4-6,8,10,25H,7,9H2,1-3H3
InChIKeyVVLVJIBGKQMSMQ-UHFFFAOYSA-N
XLogP0.98
TPSA108.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57422424
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one
CID 57422491
1-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57422494
1-(cyclohexylmethyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57944902
1-((3,5-dimethylisoxazol-4-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57944914
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57944953
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 57944959
1-Benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4,5-trione
CID 57944981
(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
CID 53373636
1-((1,5-dimethyl-1H-pyrazol-3-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 53373741
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53373742
(5R)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
CID 53373844

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one (CID 90701370) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one is Cc1noc(C)c1Cn1cc(-n2c(O)cn(Cc3ccn(C)n3)c2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one?
The InChIKey is VVLVJIBGKQMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-11-15(12(2)27-20-11)9-23-8-14(6-18-23)24-16(25)10-22(17(24)26)7-13-4-5-21(3)19-13/h4-6,8,10,25H,7,9H2,1-3H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one has a molecular weight of 369.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-one is sourced from PubChem (CID 90701370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).