3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one

C18H24FNO3 — CID 147211840

IUPAC3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CCC1CN(c2ccc(CC(C)(C)C)cc2F)C(=O)O1
InChIInChI=1S/C18H24FNO3/c1-12(21)5-7-14-11-20(17(22)23-14)16-8-6-13(9-15(16)19)10-18(2,3)4/h6,8-9,14H,5,7,10-11H2,1-4H3
InChIKeyCFIRWHHTQWZEIE-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.11
Rot. Bonds5

About 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one

3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one (PubChem CID 147211840) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
PubChem CID147211840
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CCC1CN(c2ccc(CC(C)(C)C)cc2F)C(=O)O1
InChIInChI=1S/C18H24FNO3/c1-12(21)5-7-14-11-20(17(22)23-14)16-8-6-13(9-15(16)19)10-18(2,3)4/h6,8-9,14H,5,7,10-11H2,1-4H3
InChIKeyCFIRWHHTQWZEIE-UHFFFAOYSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one (CID 147211840) is 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one is CC(=O)CCC1CN(c2ccc(CC(C)(C)C)cc2F)C(=O)O1.
What is the InChIKey of 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The InChIKey is CFIRWHHTQWZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-12(21)5-7-14-11-20(17(22)23-14)16-8-6-13(9-15(16)19)10-18(2,3)4/h6,8-9,14H,5,7,10-11H2,1-4H3.
What are the key properties of 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one has a molecular weight of 321.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 147211840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).