4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid

C11H10ClNO5 — CID 146471518

IUPAC4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C1OCN(C(=O)O)C1COc1ccccc1Cl
InChIInChI=1S/C11H10ClNO5/c12-7-3-1-2-4-9(7)17-5-8-10(14)18-6-13(8)11(15)16/h1-4,8H,5-6H2,(H,15,16)
InChIKeyNRHIBCYXNCSQRE-UHFFFAOYSA-N
MW271.66 g/mol
LogP1.58
Rot. Bonds3

About 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid

4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 146471518) has the molecular formula C11H10ClNO5 and a molecular weight of 271.66 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID146471518
Molecular FormulaC11H10ClNO5
Molecular Weight271.66 g/mol
Exact Mass271.02
IUPAC Name4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C1OCN(C(=O)O)C1COc1ccccc1Cl
InChIInChI=1S/C11H10ClNO5/c12-7-3-1-2-4-9(7)17-5-8-10(14)18-6-13(8)11(15)16/h1-4,8H,5-6H2,(H,15,16)
InChIKeyNRHIBCYXNCSQRE-UHFFFAOYSA-N
XLogP1.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146517878
(4S)-4-[2-(4-chlorophenyl)ethyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid
CID 142490807
2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
CID 82078485
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
CID 57305157
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 102109507
[2-[(2-chlorophenoxy)methyl]cyclopropyl]methanol
CID 112547364
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
9H-fluoren-9-ylmethyl (4S)-4-(isocyanomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 25189352
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513402
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid (CID 146471518) is 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid is O=C1OCN(C(=O)O)C1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is NRHIBCYXNCSQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5/c12-7-3-1-2-4-9(7)17-5-8-10(14)18-6-13(8)11(15)16/h1-4,8H,5-6H2,(H,15,16).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid?
4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 271.66 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 146471518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).