3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

C26H33NO5 — CID 70528321

IUPAC3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESC=CCOCCOCc1ccccc1OCC1CN(C(C)(C)Cc2ccccc2)C(=O)O1
InChIInChI=1S/C26H33NO5/c1-4-14-29-15-16-30-19-22-12-8-9-13-24(22)31-20-23-18-27(25(28)32-23)26(2,3)17-21-10-6-5-7-11-21/h4-13,23H,1,14-20H2,2-3H3
InChIKeyLMASKABKFKENQS-UHFFFAOYSA-N
MW439.55 g/mol
LogP4.63
Rot. Bonds13

About 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 70528321) has the molecular formula C26H33NO5 and a molecular weight of 439.55 g/mol. Its IUPAC name is 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID70528321
Molecular FormulaC26H33NO5
Molecular Weight439.55 g/mol
Exact Mass439.24
IUPAC Name3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESC=CCOCCOCc1ccccc1OCC1CN(C(C)(C)Cc2ccccc2)C(=O)O1
InChIInChI=1S/C26H33NO5/c1-4-14-29-15-16-30-19-22-12-8-9-13-24(22)31-20-23-18-27(25(28)32-23)26(2,3)17-21-10-6-5-7-11-21/h4-13,23H,1,14-20H2,2-3H3
InChIKeyLMASKABKFKENQS-UHFFFAOYSA-N
XLogP4.63
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 2793776
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one
CID 162665182
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 23471045
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 25103956
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-prop-2-enoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471099
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid
CID 69322919
5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539
2-benzyl-5-(prop-2-enoxymethyl)oxolan-3-one
CID 12987408

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 70528321) is 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is C=CCOCCOCc1ccccc1OCC1CN(C(C)(C)Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is LMASKABKFKENQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5/c1-4-14-29-15-16-30-19-22-12-8-9-13-24(22)31-20-23-18-27(25(28)32-23)26(2,3)17-21-10-6-5-7-11-21/h4-13,23H,1,14-20H2,2-3H3.
What are the key properties of 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 439.55 g/mol, XLogP of 4.63, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-phenylpropan-2-yl)-5-[[2-(2-prop-2-enoxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70528321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).