2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde

C15H19N5O4 — CID 174616159

IUPAC2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde
SMILESCc1noc(C)c1Cn1cc(N2CNC(CO)C2C(=O)C=O)cn1
InChIInChI=1S/C15H19N5O4/c1-9-12(10(2)24-18-9)5-19-4-11(3-17-19)20-8-16-13(6-21)15(20)14(23)7-22/h3-4,7,13,15-16,21H,5-6,8H2,1-2H3
InChIKeyUKIIIESXCRSPHP-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.60
Rot. Bonds6

About 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde

2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde (PubChem CID 174616159) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde
PubChem CID174616159
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde
SMILESCc1noc(C)c1Cn1cc(N2CNC(CO)C2C(=O)C=O)cn1
InChIInChI=1S/C15H19N5O4/c1-9-12(10(2)24-18-9)5-19-4-11(3-17-19)20-8-16-13(6-21)15(20)14(23)7-22/h3-4,7,13,15-16,21H,5-6,8H2,1-2H3
InChIKeyUKIIIESXCRSPHP-UHFFFAOYSA-N
XLogP-0.60
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2-dimethyl-1,2,4-triazolidin-3-yl]-2-oxoacetaldehyde
CID 174600854
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidin-4-one
CID 123607356
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]-1-methylimidazolidine-2,4-dione
CID 57422470
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enoic acid
CID 122240811
2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 118071941
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
1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazinan-2-one
CID 57422418
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 122240819
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
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 57462266

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde (CID 174616159) is 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde is Cc1noc(C)c1Cn1cc(N2CNC(CO)C2C(=O)C=O)cn1.
What is the InChIKey of 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
The InChIKey is UKIIIESXCRSPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-9-12(10(2)24-18-9)5-19-4-11(3-17-19)20-8-16-13(6-21)15(20)14(23)7-22/h3-4,7,13,15-16,21H,5-6,8H2,1-2H3.
What are the key properties of 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde has a molecular weight of 333.35 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 174616159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).