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

C19H20N4O4 — CID 24793177

IUPAC5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NC(C)c3cnn(C)c3)no2)cc1
InChIInChI=1S/C19H20N4O4/c1-12(15-9-20-23(3)10-15)21-19(25)18-8-17(27-22-18)11-26-16-6-4-14(5-7-16)13(2)24/h4-10,12H,11H2,1-3H3,(H,21,25)
InChIKeyFYZNONZCRICVPO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.68
Rot. Bonds7

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

5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24793177) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24793177
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NC(C)c3cnn(C)c3)no2)cc1
InChIInChI=1S/C19H20N4O4/c1-12(15-9-20-23(3)10-15)21-19(25)18-8-17(27-22-18)11-26-16-6-4-14(5-7-16)13(2)24/h4-10,12H,11H2,1-3H3,(H,21,25)
InChIKeyFYZNONZCRICVPO-UHFFFAOYSA-N
XLogP2.68
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.68
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-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24793177) is 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)NC(C)c3cnn(C)c3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FYZNONZCRICVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(15-9-20-23(3)10-15)21-19(25)18-8-17(27-22-18)11-26-16-6-4-14(5-7-16)13(2)24/h4-10,12H,11H2,1-3H3,(H,21,25).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.68, 7 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-[1-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).