(4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one

C19H27NO3 — CID 10925175

IUPAC(4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO3/c1-3-4-5-7-10-15(2)13-18(21)20-17(14-23-19(20)22)16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyCSMRFKSKQAGCRS-WBVHZDCISA-N
MW317.43 g/mol
LogP4.70
Rot. Bonds8

About (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10925175) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10925175
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO3/c1-3-4-5-7-10-15(2)13-18(21)20-17(14-23-19(20)22)16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyCSMRFKSKQAGCRS-WBVHZDCISA-N
XLogP4.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.70
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)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10925175) is (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCCCCC[C@@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CSMRFKSKQAGCRS-WBVHZDCISA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-4-5-7-10-15(2)13-18(21)20-17(14-23-19(20)22)16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3R)-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10925175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).