5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one

C21H25NO3 — CID 59580198

IUPAC5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCCC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C21H25NO3/c1-4-21(2,3)16-10-12-18(13-11-16)24-15-19-14-22(20(23)25-19)17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3
InChIKeyUNCHDRUWRFYVJU-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.78
Rot. Bonds6

About 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 59580198) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID59580198
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCCC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C21H25NO3/c1-4-21(2,3)16-10-12-18(13-11-16)24-15-19-14-22(20(23)25-19)17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3
InChIKeyUNCHDRUWRFYVJU-UHFFFAOYSA-N
XLogP4.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.78
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-[(5S)-5-(4-tert-butylphenoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 46830123
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
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
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
5-methyl-3-(4-propoxybenzyl)benzo[d]oxazol-2(3H)-one
CID 2141780
3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one
CID 2147692
3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 59580198) is 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one is CCC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UNCHDRUWRFYVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-21(2,3)16-10-12-18(13-11-16)24-15-19-14-22(20(23)25-19)17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3.
What are the key properties of 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).