[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate

C23H20N4O5 — CID 17485946

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)OCC(=O)Nc2ccon2)cc1
InChIInChI=1S/C23H20N4O5/c1-30-18-9-7-17(8-10-18)22-19(14-27(25-22)13-16-5-3-2-4-6-16)23(29)31-15-21(28)24-20-11-12-32-26-20/h2-12,14H,13,15H2,1H3,(H,24,26,28)
InChIKeyZUTMFKRLNKPGKA-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.39
Rot. Bonds8

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 17485946) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID17485946
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)OCC(=O)Nc2ccon2)cc1
InChIInChI=1S/C23H20N4O5/c1-30-18-9-7-17(8-10-18)22-19(14-27(25-22)13-16-5-3-2-4-6-16)23(29)31-15-21(28)24-20-11-12-32-26-20/h2-12,14H,13,15H2,1H3,(H,24,26,28)
InChIKeyZUTMFKRLNKPGKA-UHFFFAOYSA-N
XLogP3.39
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536906
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536950
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 16600692
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
(2-benzamido-2-oxoethyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475844

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate (CID 17485946) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)OCC(=O)Nc2ccon2)cc1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is ZUTMFKRLNKPGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-30-18-9-7-17(8-10-18)22-19(14-27(25-22)13-16-5-3-2-4-6-16)23(29)31-15-21(28)24-20-11-12-32-26-20/h2-12,14H,13,15H2,1H3,(H,24,26,28).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 432.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 17485946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).