(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one

C26H43NO2 — CID 150010367

IUPAC(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCCCN1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-25(23-29-26(27)28)22-24-19-16-15-17-20-24/h15-17,19-20,25H,2-14,18,21-23H2,1H3/t25-/m0/s1
InChIKeyDDDLRDULRZTHFD-VWLOTQADSA-N
MW401.64 g/mol
LogP7.53
Rot. Bonds17

About (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one (PubChem CID 150010367) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
PubChem CID150010367
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCCCN1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-25(23-29-26(27)28)22-24-19-16-15-17-20-24/h15-17,19-20,25H,2-14,18,21-23H2,1H3/t25-/m0/s1
InChIKeyDDDLRDULRZTHFD-VWLOTQADSA-N
XLogP7.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.53
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

(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
4-benzyl-1-butylazetidin-2-one
CID 86190057
4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 129245127
(4R)-4-benzyl-3-(3-pentyloctanoyl)-1,3-oxazolidin-2-one
CID 177137787
2-benzyl-1-octylaziridine
CID 102467094
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one
CID 177137934

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one (CID 150010367) is (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCCCN1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one?
The InChIKey is DDDLRDULRZTHFD-VWLOTQADSA-N. The full InChI is InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-25(23-29-26(27)28)22-24-19-16-15-17-20-24/h15-17,19-20,25H,2-14,18,21-23H2,1H3/t25-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one has a molecular weight of 401.64 g/mol, XLogP of 7.53, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 150010367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).