3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one

C14H18N2O4 — CID 86223144

IUPAC3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1NC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C14H18N2O4/c1-10(9-13(17)16-7-8-20-14(16)18)15-11-5-3-4-6-12(11)19-2/h3-6,10,15H,7-9H2,1-2H3
InChIKeyXUUGTLDLAACCJC-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.86
Rot. Bonds5

About 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one

3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 86223144) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one
PubChem CID86223144
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1NC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C14H18N2O4/c1-10(9-13(17)16-7-8-20-14(16)18)15-11-5-3-4-6-12(11)19-2/h3-6,10,15H,7-9H2,1-2H3
InChIKeyXUUGTLDLAACCJC-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 71615334
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
CID 66112828
2,6-dimethoxy-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719392
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 162786028
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-(2-propan-2-yloxyanilino)butanoic acid
CID 112510100
3-methoxy-2-(2-methoxyanilino)butanoic acid
CID 112518310

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one (CID 86223144) is 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one is COc1ccccc1NC(C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XUUGTLDLAACCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(9-13(17)16-7-8-20-14(16)18)15-11-5-3-4-6-12(11)19-2/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one?
3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86223144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).