3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

C18H20N2O3 — CID 54079592

IUPAC3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCNCN1C(=O)OCC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-19-13-20-16(12-23-18(20)21)15-9-5-6-10-17(15)22-11-14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKeyMMDNNRHMQFMVTQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.94
Rot. Bonds6

About 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 54079592) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID54079592
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCNCN1C(=O)OCC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-19-13-20-16(12-23-18(20)21)15-9-5-6-10-17(15)22-11-14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKeyMMDNNRHMQFMVTQ-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 163648230
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171185374
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
6-[1-(5-bromo-2-fluoro-4-phenylmethoxyphenyl)ethyl]-6,10b-dihydro-1H-[1,3]oxazolo[4,3-a]isoquinoline-3,5-dione
CID 90835398
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731
(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171188735
2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 99785751
2-[2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 86816069
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
ethane;1-(4-fluorophenyl)prop-2-yn-1-one;3-(4-methoxyphenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 143671652
2-(2-phenylmethoxyphenyl)adamantane
CID 19890650

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (CID 54079592) is 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is CNCN1C(=O)OCC1c1ccccc1OCc1ccccc1.
What is the InChIKey of 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MMDNNRHMQFMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-13-20-16(12-23-18(20)21)15-9-5-6-10-17(15)22-11-14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3.
What are the key properties of 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-4-(2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54079592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).