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

C16H18N2O5 — CID 56744931

IUPAC5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)CCO)no2)cc1
InChIInChI=1S/C16H18N2O5/c1-11(20)12-3-5-13(6-4-12)22-10-14-9-15(17-23-14)16(21)18(2)7-8-19/h3-6,9,19H,7-8,10H2,1-2H3
InChIKeyYDXFHWPTFFSVNE-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.52
Rot. Bonds7

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

5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56744931) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID56744931
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)CCO)no2)cc1
InChIInChI=1S/C16H18N2O5/c1-11(20)12-3-5-13(6-4-12)22-10-14-9-15(17-23-14)16(21)18(2)7-8-19/h3-6,9,19H,7-8,10H2,1-2H3
InChIKeyYDXFHWPTFFSVNE-UHFFFAOYSA-N
XLogP1.52
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-acetylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791526
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24793819
5-[(4-acetylphenoxy)methyl]-N-[(2R)-butan-2-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 95215232
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24793101
5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42192580
5-[(4-acetylphenoxy)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 45174646
N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 56744732
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791177
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466308
5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
CID 95748484

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 56744931) is 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCO)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YDXFHWPTFFSVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11(20)12-3-5-13(6-4-12)22-10-14-9-15(17-23-14)16(21)18(2)7-8-19/h3-6,9,19H,7-8,10H2,1-2H3.
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.52, 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-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56744931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).