5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide

C20H22N4O4 — CID 24817612

IUPAC5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NC(C)CCn3cccn3)no2)cc1
InChIInChI=1S/C20H22N4O4/c1-14(8-11-24-10-3-9-21-24)22-20(26)19-12-18(28-23-19)13-27-17-6-4-16(5-7-17)15(2)25/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,22,26)
InChIKeyGHZJAXPNYISCFT-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.86
Rot. Bonds9

About 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide

5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24817612) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24817612
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NC(C)CCn3cccn3)no2)cc1
InChIInChI=1S/C20H22N4O4/c1-14(8-11-24-10-3-9-21-24)22-20(26)19-12-18(28-23-19)13-27-17-6-4-16(5-7-17)15(2)25/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,22,26)
InChIKeyGHZJAXPNYISCFT-UHFFFAOYSA-N
XLogP2.86
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 24817612) is 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)NC(C)CCn3cccn3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is GHZJAXPNYISCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14(8-11-24-10-3-9-21-24)22-20(26)19-12-18(28-23-19)13-27-17-6-4-16(5-7-17)15(2)25/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,22,26).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).