N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C13H16N2O4 — CID 110648512

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2COC(=O)N2)cc1
InChIInChI=1S/C13H16N2O4/c1-18-10-4-2-9(3-5-10)6-7-14-12(16)11-8-19-13(17)15-11/h2-5,11H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeySLLGINVWSKOVPR-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 110648512) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID110648512
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2COC(=O)N2)cc1
InChIInChI=1S/C13H16N2O4/c1-18-10-4-2-9(3-5-10)6-7-14-12(16)11-8-19-13(17)15-11/h2-5,11H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeySLLGINVWSKOVPR-UHFFFAOYSA-N
XLogP0.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
CID 71926113
(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 10933011
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 110648512) is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccc(CCNC(=O)C2COC(=O)N2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is SLLGINVWSKOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-10-4-2-9(3-5-10)6-7-14-12(16)11-8-19-13(17)15-11/h2-5,11H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110648512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).