5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

C18H19NO3 — CID 46887322

IUPAC5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCCc1cccc(OCC2CN(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C18H19NO3/c1-2-14-7-6-10-16(11-14)21-13-17-12-19(18(20)22-17)15-8-4-3-5-9-15/h3-11,17H,2,12-13H2,1H3
InChIKeyHNLZVQGMQBRBJO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.65
Rot. Bonds5

About 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 46887322) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID46887322
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCCc1cccc(OCC2CN(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C18H19NO3/c1-2-14-7-6-10-16(11-14)21-13-17-12-19(18(20)22-17)15-8-4-3-5-9-15/h3-11,17H,2,12-13H2,1H3
InChIKeyHNLZVQGMQBRBJO-UHFFFAOYSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cimoxatone
CID 52542
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(5S)-5-(4-tert-butylphenoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 46830123
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 70688885
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-[3-(2-methylphenoxy)propyl]-1,3-benzoxazol-2-one
CID 2130277

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 46887322) is 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is CCc1cccc(OCC2CN(c3ccccc3)C(=O)O2)c1.
What is the InChIKey of 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HNLZVQGMQBRBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-14-7-6-10-16(11-14)21-13-17-12-19(18(20)22-17)15-8-4-3-5-9-15/h3-11,17H,2,12-13H2,1H3.
What are the key properties of 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).