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

C19H21NO3 — CID 46887369

IUPAC3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1cccc(OCC2CN(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C19H21NO3/c1-14(2)15-7-6-10-17(11-15)22-13-18-12-20(19(21)23-18)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyZECGWTJFMJGWGL-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.21
Rot. Bonds5

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

3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 46887369) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID46887369
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1cccc(OCC2CN(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C19H21NO3/c1-14(2)15-7-6-10-17(11-15)22-13-18-12-20(19(21)23-18)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyZECGWTJFMJGWGL-UHFFFAOYSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cimoxatone
CID 52542
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
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
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
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
5-((3-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887322

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one (CID 46887369) is 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one is CC(C)c1cccc(OCC2CN(c3ccccc3)C(=O)O2)c1.
What is the InChIKey of 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZECGWTJFMJGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)15-7-6-10-17(11-15)22-13-18-12-20(19(21)23-18)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).