5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one

C27H45NO5 — CID 142703858

IUPAC5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC(O)C1OC(=O)NC1COCc1ccc(OC)cc1
InChIInChI=1S/C27H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25(29)26-24(28-27(30)33-26)21-32-20-22-16-18-23(31-2)19-17-22/h16-19,24-26,29H,3-15,20-21H2,1-2H3,(H,28,30)
InChIKeyUIJKNPSWCQOCFX-UHFFFAOYSA-N
MW463.66 g/mol
LogP6.14
Rot. Bonds19

About 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one

5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one (PubChem CID 142703858) has the molecular formula C27H45NO5 and a molecular weight of 463.66 g/mol. Its IUPAC name is 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one
PubChem CID142703858
Molecular FormulaC27H45NO5
Molecular Weight463.66 g/mol
Exact Mass463.33
IUPAC Name5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC(O)C1OC(=O)NC1COCc1ccc(OC)cc1
InChIInChI=1S/C27H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25(29)26-24(28-27(30)33-26)21-32-20-22-16-18-23(31-2)19-17-22/h16-19,24-26,29H,3-15,20-21H2,1-2H3,(H,28,30)
InChIKeyUIJKNPSWCQOCFX-UHFFFAOYSA-N
XLogP6.14
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.66
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosanoic acid
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1-(4-methoxyphenyl)nonan-3-ol
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(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
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(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
CID 10587712
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-(heptan-2-yloxymethyl)-4-methoxybenzene
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CID 114753869

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one (CID 142703858) is 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCC(O)C1OC(=O)NC1COCc1ccc(OC)cc1.
What is the InChIKey of 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is UIJKNPSWCQOCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25(29)26-24(28-27(30)33-26)21-32-20-22-16-18-23(31-2)19-17-22/h16-19,24-26,29H,3-15,20-21H2,1-2H3,(H,28,30).
What are the key properties of 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one?
5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 463.66 g/mol, XLogP of 6.14, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentadecyl)-4-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142703858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).