3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C12H14ClNO3 — CID 82088828

IUPAC3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2CN(CCCl)C(=O)O2)cc1
InChIInChI=1S/C12H14ClNO3/c1-16-10-4-2-9(3-5-10)11-8-14(7-6-13)12(15)17-11/h2-5,11H,6-8H2,1H3
InChIKeyWLABYRPSVMFHIU-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.43
Rot. Bonds4

About 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one

3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 82088828) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID82088828
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2CN(CCCl)C(=O)O2)cc1
InChIInChI=1S/C12H14ClNO3/c1-16-10-4-2-9(3-5-10)11-8-14(7-6-13)12(15)17-11/h2-5,11H,6-8H2,1H3
InChIKeyWLABYRPSVMFHIU-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 82084411
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 142794272
3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82084036
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 57487855
5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene
CID 156723597
3-methoxy-5-phenyl-1,3-oxazolidin-2-one
CID 13302506
(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
CID 67354355
2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82087088

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 82088828) is 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(C2CN(CCCl)C(=O)O2)cc1.
What is the InChIKey of 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is WLABYRPSVMFHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-16-10-4-2-9(3-5-10)11-8-14(7-6-13)12(15)17-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 255.70 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82088828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).