5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one

C22H35NO3 — CID 2793780

IUPAC5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCN1CC(COCc2ccccc2)OC1=O
InChIInChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-13-16-23-17-21(26-22(23)24)19-25-18-20-14-11-10-12-15-20/h10-12,14-15,21H,2-9,13,16-19H2,1H3
InChIKeyPKNZHYOEHVCNOS-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.55
Rot. Bonds14

About 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one

5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one (PubChem CID 2793780) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
PubChem CID2793780
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCN1CC(COCc2ccccc2)OC1=O
InChIInChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-13-16-23-17-21(26-22(23)24)19-25-18-20-14-11-10-12-15-20/h10-12,14-15,21H,2-9,13,16-19H2,1H3
InChIKeyPKNZHYOEHVCNOS-UHFFFAOYSA-N
XLogP5.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
(3Z)-3-(1-hydroxyhexadecylidene)-6-(phenylmethoxymethyl)oxane-2,4-dione
CID 118737611
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
4-butyl-6-[(4-butyl-5,6-dioxomorpholin-2-yl)methoxymethyl]morpholine-2,3-dione;1-phenylpropane-1,1-diol
CID 174488862
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
CID 11545059
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
butyl 2-methyl-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 118024658
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10989192

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one (CID 2793780) is 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCN1CC(COCc2ccccc2)OC1=O.
What is the InChIKey of 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one?
The InChIKey is PKNZHYOEHVCNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-13-16-23-17-21(26-22(23)24)19-25-18-20-14-11-10-12-15-20/h10-12,14-15,21H,2-9,13,16-19H2,1H3.
What are the key properties of 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one?
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one has a molecular weight of 361.53 g/mol, XLogP of 5.55, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).