3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one

C21H26N6O4 — CID 66682707

IUPAC3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCOC3=O)n2)c1
InChIInChI=1S/C21H26N6O4/c1-16-3-2-4-17(13-16)25-22-15-18-14-19(26-5-9-29-10-6-26)24-20(23-18)30-11-7-27-8-12-31-21(27)28/h2-4,13-15,25H,5-12H2,1H3
InChIKeyWXWLFWGICWLFJA-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.90
Rot. Bonds8

About 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one

3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one (PubChem CID 66682707) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one
PubChem CID66682707
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Name3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCOC3=O)n2)c1
InChIInChI=1S/C21H26N6O4/c1-16-3-2-4-17(13-16)25-22-15-18-14-19(26-5-9-29-10-6-26)24-20(23-18)30-11-7-27-8-12-31-21(27)28/h2-4,13-15,25H,5-12H2,1H3
InChIKeyWXWLFWGICWLFJA-UHFFFAOYSA-N
XLogP1.90
TPSA101.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 66682604
3-[(2E)-2-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 11395875
3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
CID 11187877
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
3-[2-[(4-chloro-6-morpholin-4-yl-2-pyridinyl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 59673966
3-[2-[[4-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
CID 59673870
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
3-[2-[2-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl]-1,3-oxazolidin-2-one;3-[2-[[4-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-1,3-oxazolidin-2-one;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methanimine
CID 157221648
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one (CID 66682707) is 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one is Cc1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCOC3=O)n2)c1.
What is the InChIKey of 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is WXWLFWGICWLFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-16-3-2-4-17(13-16)25-22-15-18-14-19(26-5-9-29-10-6-26)24-20(23-18)30-11-7-27-8-12-31-21(27)28/h2-4,13-15,25H,5-12H2,1H3.
What are the key properties of 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 426.48 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66682707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).