5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

C20H23NO3 — CID 46887372

IUPAC5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-9-11-17(12-10-15)23-14-18-13-21(19(22)24-18)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
InChIKeyAUWQGNKAKYHFEN-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.39
Rot. Bonds4

About 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 46887372) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID46887372
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-9-11-17(12-10-15)23-14-18-13-21(19(22)24-18)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
InChIKeyAUWQGNKAKYHFEN-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.39
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
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
3-(2-ethoxybenzyl)-5-methyl-1,3-benzoxazol-2(3H)-one
CID 851212

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 46887372) is 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is CC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AUWQGNKAKYHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)15-9-11-17(12-10-15)23-14-18-13-21(19(22)24-18)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3.
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).