N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

C17H21N3O5 — CID 46470080

IUPACN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)no2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C17H21N3O5/c1-11-7-15(25-19-11)17(22)18-9-12-5-6-13(14(8-12)23-4)24-10-16(21)20(2)3/h5-8H,9-10H2,1-4H3,(H,18,22)
InChIKeyWWAZTEYQNKXWLI-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.39
Rot. Bonds7

About N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 46470080) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID46470080
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)no2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C17H21N3O5/c1-11-7-15(25-19-11)17(22)18-9-12-5-6-13(14(8-12)23-4)24-10-16(21)20(2)3/h5-8H,9-10H2,1-4H3,(H,18,22)
InChIKeyWWAZTEYQNKXWLI-UHFFFAOYSA-N
XLogP1.39
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46476680
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 46466672
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243
2-(4-bromophenoxy)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]propanamide
CID 46477042
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46476875
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55745888
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46477327

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 46470080) is N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is COc1cc(CNC(=O)c2cc(C)no2)ccc1OCC(=O)N(C)C.
What is the InChIKey of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is WWAZTEYQNKXWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11-7-15(25-19-11)17(22)18-9-12-5-6-13(14(8-12)23-4)24-10-16(21)20(2)3/h5-8H,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46470080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).