1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H16Cl2N2O5 — CID 119350526

IUPAC1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C17H16Cl2N2O5/c18-11-4-3-5-12(19)14(11)25-9-10-8-13(21-26-10)15(22)20-17(16(23)24)6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,20,22)(H,23,24)
InChIKeyZZOYPZUAUNEUPX-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.69
Rot. Bonds6

About 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119350526) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119350526
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C17H16Cl2N2O5/c18-11-4-3-5-12(19)14(11)25-9-10-8-13(21-26-10)15(22)20-17(16(23)24)6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,20,22)(H,23,24)
InChIKeyZZOYPZUAUNEUPX-UHFFFAOYSA-N
XLogP3.69
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-phenylmethanone
CID 162407806
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 155949179
N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119609133
(2S)-1-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365137
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120518666
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564152

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 119350526) is 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc(COc2c(Cl)cccc2Cl)on1.
What is the InChIKey of 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZZOYPZUAUNEUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c18-11-4-3-5-12(19)14(11)25-9-10-8-13(21-26-10)15(22)20-17(16(23)24)6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,20,22)(H,23,24).
What are the key properties of 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 399.23 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119350526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).