5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one

C12H14ClNO3 — CID 82088842

IUPAC5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(Cl)cc1C1(C)CN(C)C(=O)O1
InChIInChI=1S/C12H14ClNO3/c1-12(7-14(2)11(15)17-12)9-6-8(13)4-5-10(9)16-3/h4-6H,7H2,1-3H3
InChIKeyUCFKTKOIXOJKOV-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.65
Rot. Bonds2

About 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one

5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 82088842) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID82088842
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(Cl)cc1C1(C)CN(C)C(=O)O1
InChIInChI=1S/C12H14ClNO3/c1-12(7-14(2)11(15)17-12)9-6-8(13)4-5-10(9)16-3/h4-6H,7H2,1-3H3
InChIKeyUCFKTKOIXOJKOV-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 105458735
N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118768284
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1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 65017164
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CID 117348075
5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]
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CID 112564095

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 82088842) is 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is COc1ccc(Cl)cc1C1(C)CN(C)C(=O)O1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is UCFKTKOIXOJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-12(7-14(2)11(15)17-12)9-6-8(13)4-5-10(9)16-3/h4-6H,7H2,1-3H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 255.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 82088842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).