(4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one

C22H33NO3 — CID 11068360

IUPAC(4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1NC(=O)O[C@@H]1CCC(=O)CCCCCCCCCc1ccccc1
InChIInChI=1S/C22H33NO3/c1-18-21(26-22(25)23-18)17-16-20(24)15-11-6-4-2-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,21H,2-6,8,11-12,15-17H2,1H3,(H,23,25)/t18-,21-/m1/s1
InChIKeyYRHXIUPTJWXYMY-WIYYLYMNSA-N
MW359.51 g/mol
LogP5.20
Rot. Bonds13

About (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one

(4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one (PubChem CID 11068360) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one
PubChem CID11068360
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name(4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1NC(=O)O[C@@H]1CCC(=O)CCCCCCCCCc1ccccc1
InChIInChI=1S/C22H33NO3/c1-18-21(26-22(25)23-18)17-16-20(24)15-11-6-4-2-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,21H,2-6,8,11-12,15-17H2,1H3,(H,23,25)/t18-,21-/m1/s1
InChIKeyYRHXIUPTJWXYMY-WIYYLYMNSA-N
XLogP5.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one (CID 11068360) is (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one is C[C@H]1NC(=O)O[C@@H]1CCC(=O)CCCCCCCCCc1ccccc1.
What is the InChIKey of (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one?
The InChIKey is YRHXIUPTJWXYMY-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H33NO3/c1-18-21(26-22(25)23-18)17-16-20(24)15-11-6-4-2-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,21H,2-6,8,11-12,15-17H2,1H3,(H,23,25)/t18-,21-/m1/s1.
What are the key properties of (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one?
(4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-5-(3-oxo-12-phenyldodecyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11068360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).