1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one

C19H21N5O2 — CID 57422491

IUPAC1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidin-2-one
SMILESCC1=C(C(=NO1)C)CN2C=C(C=N2)N3CCN(C3=O)CC4=CC=CC=C4
InChIInChI=1S/C19H21N5O2/c1-14-18(15(2)26-21-14)13-23-12-17(10-20-23)24-9-8-22(19(24)25)11-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11,13H2,1-2H3
InChIKeyMDRVGLOFKDNZHI-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.70
Rot. Bonds5

About 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one

1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one (PubChem CID 57422491) has the molecular formula C19H21N5O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one
PubChem CID57422491
Molecular FormulaC19H21N5O2
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidin-2-one
SMILESCC1=C(C(=NO1)C)CN2C=C(C=N2)N3CCN(C3=O)CC4=CC=CC=C4
InChIInChI=1S/C19H21N5O2/c1-14-18(15(2)26-21-14)13-23-12-17(10-20-23)24-9-8-22(19(24)25)11-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11,13H2,1-2H3
InChIKeyMDRVGLOFKDNZHI-UHFFFAOYSA-N
XLogP1.70
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity498

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione
CID 57422431
3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53374958
6-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 53373641
7-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 53374960
(5S)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53374961
(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53375053
(5S)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 53375054
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53375056
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)isoindoline-1,3-dione
CID 57422411
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
Methyl 3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]benzoate
CID 57422428

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one (CID 57422491) is 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one is CC1=C(C(=NO1)C)CN2C=C(C=N2)N3CCN(C3=O)CC4=CC=CC=C4.
What is the InChIKey of 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one?
The InChIKey is MDRVGLOFKDNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-18(15(2)26-21-14)13-23-12-17(10-20-23)24-9-8-22(19(24)25)11-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11,13H2,1-2H3.
What are the key properties of 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one?
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one has a molecular weight of 351.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one is sourced from PubChem (CID 57422491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).