methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate

C17H15N3O4 — CID 2744899

IUPACmethyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1-c1ccnn1C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15N3O4/c1-10-4-6-12(7-5-10)16(21)20-13(8-9-18-20)14-11(2)24-19-15(14)17(22)23-3/h4-9H,1-3H3
InChIKeyAZTYZDRZZKPVAJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.63
Rot. Bonds3

About methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate

methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate (PubChem CID 2744899) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate
PubChem CID2744899
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Namemethyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1-c1ccnn1C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15N3O4/c1-10-4-6-12(7-5-10)16(21)20-13(8-9-18-20)14-11(2)24-19-15(14)17(22)23-3/h4-9H,1-3H3
InChIKeyAZTYZDRZZKPVAJ-UHFFFAOYSA-N
XLogP2.63
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate (CID 2744899) is methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1noc(C)c1-c1ccnn1C(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is AZTYZDRZZKPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10-4-6-12(7-5-10)16(21)20-13(8-9-18-20)14-11(2)24-19-15(14)17(22)23-3/h4-9H,1-3H3.
What are the key properties of methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate?
methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[2-(4-methylbenzoyl)pyrazol-3-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2744899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).