N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C12H13ClN2O4 — CID 110650141

IUPACN-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2COC(=O)N2C)cc1Cl
InChIInChI=1S/C12H13ClN2O4/c1-15-9(6-19-12(15)17)11(16)14-7-3-4-10(18-2)8(13)5-7/h3-5,9H,6H2,1-2H3,(H,14,16)
InChIKeyROZGYITURSTAOQ-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.74
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 110650141) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID110650141
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2COC(=O)N2C)cc1Cl
InChIInChI=1S/C12H13ClN2O4/c1-15-9(6-19-12(15)17)11(16)14-7-3-4-10(18-2)8(13)5-7/h3-5,9H,6H2,1-2H3,(H,14,16)
InChIKeyROZGYITURSTAOQ-UHFFFAOYSA-N
XLogP1.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 110650141) is N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccc(NC(=O)C2COC(=O)N2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is ROZGYITURSTAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c1-15-9(6-19-12(15)17)11(16)14-7-3-4-10(18-2)8(13)5-7/h3-5,9H,6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 284.70 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110650141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).