2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid

C16H16Cl2N2O5 — CID 120518666

IUPAC2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(C)(C)C(=O)O
InChIInChI=1S/C16H16Cl2N2O5/c1-16(2,15(22)23)20(3)14(21)12-7-9(25-19-12)8-24-13-10(17)5-4-6-11(13)18/h4-7H,8H2,1-3H3,(H,22,23)
InChIKeyOEHVWJABXVDAHC-UHFFFAOYSA-N
MW387.22 g/mol
LogP3.50
Rot. Bonds6

About 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120518666) has the molecular formula C16H16Cl2N2O5 and a molecular weight of 387.22 g/mol. Its IUPAC name is 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID120518666
Molecular FormulaC16H16Cl2N2O5
Molecular Weight387.22 g/mol
Exact Mass386.04
IUPAC Name2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(C)(C)C(=O)O
InChIInChI=1S/C16H16Cl2N2O5/c1-16(2,15(22)23)20(3)14(21)12-7-9(25-19-12)8-24-13-10(17)5-4-6-11(13)18/h4-7H,8H2,1-3H3,(H,22,23)
InChIKeyOEHVWJABXVDAHC-UHFFFAOYSA-N
XLogP3.50
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
CID 162407806
N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119609133
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822
5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119533285
5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 155949179
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350526
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120530828
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564152
(2S)-1-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365137
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580992
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid (CID 120518666) is 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is OEHVWJABXVDAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5/c1-16(2,15(22)23)20(3)14(21)12-7-9(25-19-12)8-24-13-10(17)5-4-6-11(13)18/h4-7H,8H2,1-3H3,(H,22,23).
What are the key properties of 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 387.22 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120518666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).