3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one

C13H18N2O3 — CID 21071128

IUPAC3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C)c(NCCN2CCOC2=O)c1
InChIInChI=1S/C13H18N2O3/c1-10-3-4-11(17-2)9-12(10)14-5-6-15-7-8-18-13(15)16/h3-4,9,14H,5-8H2,1-2H3
InChIKeyZYKLIOCPFODUAL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.87
Rot. Bonds5

About 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one

3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one (PubChem CID 21071128) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one
PubChem CID21071128
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C)c(NCCN2CCOC2=O)c1
InChIInChI=1S/C13H18N2O3/c1-10-3-4-11(17-2)9-12(10)14-5-6-15-7-8-18-13(15)16/h3-4,9,14H,5-8H2,1-2H3
InChIKeyZYKLIOCPFODUAL-UHFFFAOYSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one;1-(5-methoxy-2-methylphenyl)piperazine
CID 158726107
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354
2-methoxy-4,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzenesulfonamide
CID 110707287
2-(3-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719290
3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
CID 101496392
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 47061882
2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719352
N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide
CID 19091391
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one (CID 21071128) is 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one is COc1ccc(C)c(NCCN2CCOC2=O)c1.
What is the InChIKey of 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZYKLIOCPFODUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-3-4-11(17-2)9-12(10)14-5-6-15-7-8-18-13(15)16/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one?
3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 21071128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).