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

C16H19FN2O4 — CID 11493514

IUPAC3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN(c2ccc(C3CCC(O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H19FN2O4/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/h3,6-7,9,11,14,20H,1-2,4-5,8H2,(H2,18,21)
InChIKeyXBZVYNJVMOCIGO-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.65
Rot. Bonds3

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

3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 11493514) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID11493514
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN(c2ccc(C3CCC(O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H19FN2O4/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/h3,6-7,9,11,14,20H,1-2,4-5,8H2,(H2,18,21)
InChIKeyXBZVYNJVMOCIGO-UHFFFAOYSA-N
XLogP1.65
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 11493514) is 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[3-fluoro-4-(4-hydroxycyclohexyl)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-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is XBZVYNJVMOCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/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/h3,6-7,9,11,14,20H,1-2,4-5,8H2,(H2,18,21).
What are the key properties of 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 11493514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).