4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione

C23H27N5O4 — CID 123505194

IUPAC4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione
SMILESCc1noc(C)c1Cn1cc(C(C)C2CC(=O)N(Cc3cccc(CO)n3)CC2=O)cn1
InChIInChI=1S/C23H27N5O4/c1-14(17-8-24-28(9-17)11-21-15(2)26-32-16(21)3)20-7-23(31)27(12-22(20)30)10-18-5-4-6-19(13-29)25-18/h4-6,8-9,14,20,29H,7,10-13H2,1-3H3
InChIKeyCEAZCJPXEUUBKP-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.14
Rot. Bonds7

About 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione

4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione (PubChem CID 123505194) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione.

Molecular Properties

Compound Name4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione
PubChem CID123505194
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione
SMILESCc1noc(C)c1Cn1cc(C(C)C2CC(=O)N(Cc3cccc(CO)n3)CC2=O)cn1
InChIInChI=1S/C23H27N5O4/c1-14(17-8-24-28(9-17)11-21-15(2)26-32-16(21)3)20-7-23(31)27(12-22(20)30)10-18-5-4-6-19(13-29)25-18/h4-6,8-9,14,20,29H,7,10-13H2,1-3H3
InChIKeyCEAZCJPXEUUBKP-UHFFFAOYSA-N
XLogP2.14
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-[3-[6-(hydroxymethyl)-2-pyridinyl]propyl]pyrrole-2,5-diol
CID 123926394
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-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422433
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one
CID 123271775
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
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
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
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-[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
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
(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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione?
The IUPAC name of 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione (CID 123505194) is 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione.
What is the SMILES notation for 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione?
The canonical SMILES for 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione is Cc1noc(C)c1Cn1cc(C(C)C2CC(=O)N(Cc3cccc(CO)n3)CC2=O)cn1.
What is the InChIKey of 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione?
The InChIKey is CEAZCJPXEUUBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14(17-8-24-28(9-17)11-21-15(2)26-32-16(21)3)20-7-23(31)27(12-22(20)30)10-18-5-4-6-19(13-29)25-18/h4-6,8-9,14,20,29H,7,10-13H2,1-3H3.
What are the key properties of 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione?
4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione has a molecular weight of 437.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethyl]-1-[[6-(hydroxymethyl)-2-pyridinyl]methyl]piperidine-2,5-dione is sourced from PubChem (CID 123505194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).