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

C20H24N6O3 — CID 118075109

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-ethylideneimidazolidin-4-one
SMILESCC=C1N(Cc2c(C)noc2C)CC(=O)N1c1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C20H24N6O3/c1-6-19-24(9-17-12(2)22-28-14(17)4)11-20(27)26(19)16-7-21-25(8-16)10-18-13(3)23-29-15(18)5/h6-8H,9-11H2,1-5H3
InChIKeyFHPLAHHSCZETJF-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.85
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-ethylideneimidazolidin-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-ethylideneimidazolidin-4-one (PubChem CID 118075109) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 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-ethylideneimidazolidin-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-ethylideneimidazolidin-4-one
PubChem CID118075109
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
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-ethylideneimidazolidin-4-one
SMILESCC=C1N(Cc2c(C)noc2C)CC(=O)N1c1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C20H24N6O3/c1-6-19-24(9-17-12(2)22-28-14(17)4)11-20(27)26(19)16-7-21-25(8-16)10-18-13(3)23-29-15(18)5/h6-8H,9-11H2,1-5H3
InChIKeyFHPLAHHSCZETJF-UHFFFAOYSA-N
XLogP2.85
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione
CID 57422470
(2E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(hydroxymethylidene)-1-[(4-hydroxyphenyl)methyl]imidazolidin-4-one
CID 173464433
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-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 58409600
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
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 57422465
tert-butyl 3-[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]propanoate
CID 58409587
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidin-4-one
CID 123607356
(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 57462266
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 53374574

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-ethylideneimidazolidin-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-ethylideneimidazolidin-4-one (CID 118075109) 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-ethylideneimidazolidin-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-ethylideneimidazolidin-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-ethylideneimidazolidin-4-one is CC=C1N(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-ethylideneimidazolidin-4-one?
The InChIKey is FHPLAHHSCZETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-6-19-24(9-17-12(2)22-28-14(17)4)11-20(27)26(19)16-7-21-25(8-16)10-18-13(3)23-29-15(18)5/h6-8H,9-11H2,1-5H3.
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-ethylideneimidazolidin-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-ethylideneimidazolidin-4-one has a molecular weight of 396.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 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-ethylideneimidazolidin-4-one is sourced from PubChem (CID 118075109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).