5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C19H22N2O5 — CID 24792057

IUPAC5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NCC3CCCCO3)no2)cc1
InChIInChI=1S/C19H22N2O5/c1-13(22)14-5-7-15(8-6-14)25-12-17-10-18(21-26-17)19(23)20-11-16-4-2-3-9-24-16/h5-8,10,16H,2-4,9,11-12H2,1H3,(H,20,23)
InChIKeyPJNKDAAJDXJGSP-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.76
Rot. Bonds7

About 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24792057) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24792057
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NCC3CCCCO3)no2)cc1
InChIInChI=1S/C19H22N2O5/c1-13(22)14-5-7-15(8-6-14)25-12-17-10-18(21-26-17)19(23)20-11-16-4-2-3-9-24-16/h5-8,10,16H,2-4,9,11-12H2,1H3,(H,20,23)
InChIKeyPJNKDAAJDXJGSP-UHFFFAOYSA-N
XLogP2.76
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
CID 70679283
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-((3-Isopropylisoxazol-5-yl)methyl)-3-((1-isopropylpiperidin-4-yl)oxy)-4-methoxybenzamide
CID 24817638
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 16285974
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24792057) is 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)NCC3CCCCO3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PJNKDAAJDXJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(22)14-5-7-15(8-6-14)25-12-17-10-18(21-26-17)19(23)20-11-16-4-2-3-9-24-16/h5-8,10,16H,2-4,9,11-12H2,1H3,(H,20,23).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24792057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).