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-iminoimidazolidin-4-one

C18H21N7O3 — CID 147088296

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\N(Cc2c(C)noc2C)CC(=O)N1c1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C18H21N7O3/c1-10-15(12(3)27-21-10)7-23-9-17(26)25(18(23)19)14-5-20-24(6-14)8-16-11(2)22-28-13(16)4/h5-6,19H,7-9H2,1-4H3/b19-18+
InChIKeyBIHBNURTUZLVAK-VHEBQXMUSA-N
MW383.41 g/mol
LogP1.92
Rot. Bonds5

About 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-iminoimidazolidin-4-one

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-iminoimidazolidin-4-one (PubChem CID 147088296) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 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-iminoimidazolidin-4-one.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-iminoimidazolidin-4-one
PubChem CID147088296
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\N(Cc2c(C)noc2C)CC(=O)N1c1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C18H21N7O3/c1-10-15(12(3)27-21-10)7-23-9-17(26)25(18(23)19)14-5-20-24(6-14)8-16-11(2)22-28-13(16)4/h5-6,19H,7-9H2,1-4H3/b19-18+
InChIKeyBIHBNURTUZLVAK-VHEBQXMUSA-N
XLogP1.92
TPSA117.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57422424
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
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-((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
1-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 53373958
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 53374475
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53374573
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione
CID 53374673
1-((3,5-dimethylisoxazol-4-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 53375153

Frequently Asked Questions

What is the IUPAC name of 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-iminoimidazolidin-4-one?
The IUPAC name of 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-iminoimidazolidin-4-one (CID 147088296) is 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-iminoimidazolidin-4-one.
What is the SMILES notation for 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-iminoimidazolidin-4-one?
The canonical SMILES for 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-iminoimidazolidin-4-one is [H]/N=C1\N(Cc2c(C)noc2C)CC(=O)N1c1cnn(Cc2c(C)noc2C)c1.
What is the InChIKey of 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-iminoimidazolidin-4-one?
The InChIKey is BIHBNURTUZLVAK-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-10-15(12(3)27-21-10)7-23-9-17(26)25(18(23)19)14-5-20-24(6-14)8-16-11(2)22-28-13(16)4/h5-6,19H,7-9H2,1-4H3/b19-18+.
What are the key properties of 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-iminoimidazolidin-4-one?
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-iminoimidazolidin-4-one has a molecular weight of 383.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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-iminoimidazolidin-4-one is sourced from PubChem (CID 147088296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).