3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H17FN2O4 — CID 11631127

IUPAC3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN(c2ccc(C3CCC(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN2O4/c17-13-7-10(19-8-14(15(18)21)23-16(19)22)3-6-12(13)9-1-4-11(20)5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H2,18,21)
InChIKeyOGLLXNORYUHZRX-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.86
Rot. Bonds3

About 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 11631127) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID11631127
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN(c2ccc(C3CCC(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN2O4/c17-13-7-10(19-8-14(15(18)21)23-16(19)22)3-6-12(13)9-1-4-11(20)5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H2,18,21)
InChIKeyOGLLXNORYUHZRX-UHFFFAOYSA-N
XLogP1.86
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 11631127) is 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN(c2ccc(C3CCC(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is OGLLXNORYUHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-13-7-10(19-8-14(15(18)21)23-16(19)22)3-6-12(13)9-1-4-11(20)5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H2,18,21).
What are the key properties of 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 11631127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).