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

C20H22N4O4 — CID 24819379

IUPAC5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)c1
InChIInChI=1S/C20H22N4O4/c1-14(25)16-5-4-6-17(9-16)27-13-18-10-19(22-28-18)20(26)23(2)8-7-15-11-21-24(3)12-15/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyIIBOGUKYWFWBAC-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds8

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

5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24819379) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24819379
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)c1
InChIInChI=1S/C20H22N4O4/c1-14(25)16-5-4-6-17(9-16)27-13-18-10-19(22-28-18)20(26)23(2)8-7-15-11-21-24(3)12-15/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyIIBOGUKYWFWBAC-UHFFFAOYSA-N
XLogP2.50
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24819379) is 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IIBOGUKYWFWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14(25)16-5-4-6-17(9-16)27-13-18-10-19(22-28-18)20(26)23(2)8-7-15-11-21-24(3)12-15/h4-6,9-12H,7-8,13H2,1-3H3.
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).