3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one

C24H29N5O5 — CID 134402533

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(OC4CCCCO4)c3)C2O)cn1
InChIInChI=1S/C24H29N5O5/c1-16-21(17(2)34-26-16)14-28-13-19(11-25-28)29-22(30)15-27(24(29)31)12-18-6-5-7-20(10-18)33-23-8-3-4-9-32-23/h5-7,10-11,13,23-24,31H,3-4,8-9,12,14-15H2,1-2H3
InChIKeySQPAGTOOOYPXNY-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.57
Rot. Bonds7

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one (PubChem CID 134402533) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one
PubChem CID134402533
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(OC4CCCCO4)c3)C2O)cn1
InChIInChI=1S/C24H29N5O5/c1-16-21(17(2)34-26-16)14-28-13-19(11-25-28)29-22(30)15-27(24(29)31)12-18-6-5-7-20(10-18)33-23-8-3-4-9-32-23/h5-7,10-11,13,23-24,31H,3-4,8-9,12,14-15H2,1-2H3
InChIKeySQPAGTOOOYPXNY-UHFFFAOYSA-N
XLogP2.57
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one with MolForge

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Related Compounds

(5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
CID 59524416
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422473
2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one
CID 143767120
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
CID 91581648
1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 59524379
(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 67096060
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
2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 57422469
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-methylimidazolidine-2,4-dione
CID 57422470
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 53374381
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422433

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one (CID 134402533) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one is Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(OC4CCCCO4)c3)C2O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one?
The InChIKey is SQPAGTOOOYPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-16-21(17(2)34-26-16)14-28-13-19(11-25-28)29-22(30)15-27(24(29)31)12-18-6-5-7-20(10-18)33-23-8-3-4-9-32-23/h5-7,10-11,13,23-24,31H,3-4,8-9,12,14-15H2,1-2H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one has a molecular weight of 467.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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]-2-hydroxy-1-[[3-(oxan-2-yloxy)phenyl]methyl]imidazolidin-4-one is sourced from PubChem (CID 134402533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).