4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one

C20H23NO3 — CID 22618845

IUPAC4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCCC1(CCc2ccc(OCc3ccccc3)cc2)COC(=O)N1
InChIInChI=1S/C20H23NO3/c1-2-20(15-24-19(22)21-20)13-12-16-8-10-18(11-9-16)23-14-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,21,22)
InChIKeyMVBWXEOVQOJYHF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.09
Rot. Bonds7

About 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one

4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 22618845) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID22618845
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCCC1(CCc2ccc(OCc3ccccc3)cc2)COC(=O)N1
InChIInChI=1S/C20H23NO3/c1-2-20(15-24-19(22)21-20)13-12-16-8-10-18(11-9-16)23-14-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,21,22)
InChIKeyMVBWXEOVQOJYHF-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[2-(4-octylphenyl)ethyl]-4-[(3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-3-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 11156566
(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 102580214
4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one
CID 54682274
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
CID 58095577
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 89197006
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one (CID 22618845) is 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one is CCC1(CCc2ccc(OCc3ccccc3)cc2)COC(=O)N1.
What is the InChIKey of 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is MVBWXEOVQOJYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-20(15-24-19(22)21-20)13-12-16-8-10-18(11-9-16)23-14-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,21,22).
What are the key properties of 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22618845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).