5-dodecyl-3-phenyl-1,3-oxazolidin-2-one

C21H33NO2 — CID 23270939

IUPAC5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-22(21(23)24-20)19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3
InChIKeyQIIXIGSUMPNGAG-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.32
Rot. Bonds12

About 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one

5-dodecyl-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 23270939) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
PubChem CID23270939
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-22(21(23)24-20)19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3
InChIKeyQIIXIGSUMPNGAG-UHFFFAOYSA-N
XLogP6.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221
3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 46887116
(5R)-5-hexyl-3-thiophen-3-yl-1,3-oxazolidin-2-one
CID 124582743
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
3-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870
2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 59580233
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
2-[2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]acetonitrile
CID 59580299

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one (CID 23270939) is 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QIIXIGSUMPNGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-22(21(23)24-20)19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3.
What are the key properties of 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one?
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 331.50 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23270939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).