4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one

C17H20FNO3 — CID 70099362

IUPAC4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one
SMILESCC1NC(C(=O)c2cccc(F)c2)(C2CCCCC2)C(=O)O1
InChIInChI=1S/C17H20FNO3/c1-11-19-17(16(21)22-11,13-7-3-2-4-8-13)15(20)12-6-5-9-14(18)10-12/h5-6,9-11,13,19H,2-4,7-8H2,1H3
InChIKeyYFLZIQDPXPQGEM-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.82
Rot. Bonds3

About 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one

4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one (PubChem CID 70099362) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one
PubChem CID70099362
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one
SMILESCC1NC(C(=O)c2cccc(F)c2)(C2CCCCC2)C(=O)O1
InChIInChI=1S/C17H20FNO3/c1-11-19-17(16(21)22-11,13-7-3-2-4-8-13)15(20)12-6-5-9-14(18)10-12/h5-6,9-11,13,19H,2-4,7-8H2,1H3
InChIKeyYFLZIQDPXPQGEM-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one?
The IUPAC name of 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one (CID 70099362) is 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one?
The canonical SMILES for 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one is CC1NC(C(=O)c2cccc(F)c2)(C2CCCCC2)C(=O)O1.
What is the InChIKey of 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one?
The InChIKey is YFLZIQDPXPQGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-11-19-17(16(21)22-11,13-7-3-2-4-8-13)15(20)12-6-5-9-14(18)10-12/h5-6,9-11,13,19H,2-4,7-8H2,1H3.
What are the key properties of 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one?
4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one has a molecular weight of 305.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(3-fluorobenzoyl)-2-methyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 70099362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).