ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate

C20H22N4O4 — CID 2740652

IUPACethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3c(C)noc3C)cc2)c1C
InChIInChI=1S/C20H22N4O4/c1-6-27-20(26)17-11(2)22-24(13(17)4)16-9-7-15(8-10-16)21-19(25)18-12(3)23-28-14(18)5/h7-10H,6H2,1-5H3,(H,21,25)
InChIKeyGAAPOWRZHUACNH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.52
Rot. Bonds5

About ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate

ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 2740652) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate
PubChem CID2740652
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3c(C)noc3C)cc2)c1C
InChIInChI=1S/C20H22N4O4/c1-6-27-20(26)17-11(2)22-24(13(17)4)16-9-7-15(8-10-16)21-19(25)18-12(3)23-28-14(18)5/h7-10H,6H2,1-5H3,(H,21,25)
InChIKeyGAAPOWRZHUACNH-UHFFFAOYSA-N
XLogP3.52
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate (CID 2740652) is ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3c(C)noc3C)cc2)c1C.
What is the InChIKey of ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is GAAPOWRZHUACNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-6-27-20(26)17-11(2)22-24(13(17)4)16-9-7-15(8-10-16)21-19(25)18-12(3)23-28-14(18)5/h7-10H,6H2,1-5H3,(H,21,25).
What are the key properties of ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]phenyl]-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 2740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).