[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate

C23H20N4O4 — CID 8536906

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)no1
InChIInChI=1S/C23H20N4O4/c1-16-12-20(26-31-16)24-21(28)15-30-23(29)19-14-27(13-17-8-4-2-5-9-17)25-22(19)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3,(H,24,26,28)
InChIKeyKWZFSOJBMILTOB-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.69
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate (PubChem CID 8536906) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
PubChem CID8536906
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)no1
InChIInChI=1S/C23H20N4O4/c1-16-12-20(26-31-16)24-21(28)15-30-23(29)19-14-27(13-17-8-4-2-5-9-17)25-22(19)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3,(H,24,26,28)
InChIKeyKWZFSOJBMILTOB-UHFFFAOYSA-N
XLogP3.69
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate with MolForge

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Related Compounds

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 17485946
2-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300296
[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536950
(5-methyl-1,2-oxazol-3-yl)methyl 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 8955741
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489583
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 2682298
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561076
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197384
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 42983382

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate (CID 8536906) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate is Cc1cc(NC(=O)COC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
The InChIKey is KWZFSOJBMILTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-16-12-20(26-31-16)24-21(28)15-30-23(29)19-14-27(13-17-8-4-2-5-9-17)25-22(19)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3,(H,24,26,28).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 8536906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).