(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one

C18H25NO3 — CID 69090577

IUPAC(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCCC[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H25NO3/c1-4-5-7-10-13(2)17(20)19-14(3)16(22-18(19)21)15-11-8-6-9-12-15/h6,8-9,11-14,16H,4-5,7,10H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyVOVLACFYFDVAFZ-IIAWOOMASA-N
MW303.40 g/mol
LogP4.31
Rot. Bonds6

About (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 69090577) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID69090577
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCCC[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H25NO3/c1-4-5-7-10-13(2)17(20)19-14(3)16(22-18(19)21)15-11-8-6-9-12-15/h6,8-9,11-14,16H,4-5,7,10H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyVOVLACFYFDVAFZ-IIAWOOMASA-N
XLogP4.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one (CID 69090577) is (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one is CCCCC[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VOVLACFYFDVAFZ-IIAWOOMASA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-5-7-10-13(2)17(20)19-14(3)16(22-18(19)21)15-11-8-6-9-12-15/h6,8-9,11-14,16H,4-5,7,10H2,1-3H3/t13-,14-,16-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 303.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69090577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).