(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one

C20H24N2O3 — CID 101347940

IUPAC(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
SMILESCOc1cccc(CN2C(=O)OC[C@H]2N(C)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-21(12-11-16-7-4-3-5-8-16)19-15-25-20(23)22(19)14-17-9-6-10-18(13-17)24-2/h3-10,13,19H,11-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyDGZRGMIIYGIGPM-IBGZPJMESA-N
MW340.42 g/mol
LogP3.15
Rot. Bonds7

About (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one

(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one (PubChem CID 101347940) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
PubChem CID101347940
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
SMILESCOc1cccc(CN2C(=O)OC[C@H]2N(C)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-21(12-11-16-7-4-3-5-8-16)19-15-25-20(23)22(19)14-17-9-6-10-18(13-17)24-2/h3-10,13,19H,11-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyDGZRGMIIYGIGPM-IBGZPJMESA-N
XLogP3.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851931
3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 18608249
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
(4S)-3-[(3-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851942
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
CID 55681185

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one (CID 101347940) is (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one is COc1cccc(CN2C(=O)OC[C@H]2N(C)CCc2ccccc2)c1.
What is the InChIKey of (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one?
The InChIKey is DGZRGMIIYGIGPM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21(12-11-16-7-4-3-5-8-16)19-15-25-20(23)22(19)14-17-9-6-10-18(13-17)24-2/h3-10,13,19H,11-12,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one?
(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one has a molecular weight of 340.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101347940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).