5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one

C12H15ClN2O4 — CID 104664108

IUPAC5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(Cl)cc(CN)c1OCC1CNC(=O)O1
InChIInChI=1S/C12H15ClN2O4/c1-17-10-3-8(13)2-7(4-14)11(10)18-6-9-5-15-12(16)19-9/h2-3,9H,4-6,14H2,1H3,(H,15,16)
InChIKeyJYDPWQRMIMOKII-UHFFFAOYSA-N
MW286.71 g/mol
LogP1.29
Rot. Bonds5

About 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 104664108) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID104664108
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(Cl)cc(CN)c1OCC1CNC(=O)O1
InChIInChI=1S/C12H15ClN2O4/c1-17-10-3-8(13)2-7(4-14)11(10)18-6-9-5-15-12(16)19-9/h2-3,9H,4-6,14H2,1H3,(H,15,16)
InChIKeyJYDPWQRMIMOKII-UHFFFAOYSA-N
XLogP1.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889428
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889826
5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
CID 66849130
CID 66849130
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
CID 113438848
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 117095688

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one (CID 104664108) is 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one is COc1cc(Cl)cc(CN)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is JYDPWQRMIMOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-17-10-3-8(13)2-7(4-14)11(10)18-6-9-5-15-12(16)19-9/h2-3,9H,4-6,14H2,1H3,(H,15,16).
What are the key properties of 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 286.71 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 104664108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).