N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C19H24F2N2O4 — CID 11176500

IUPACN-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1CN(c2ccc(C3CCC(O)C(F)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H24F2N2O4/c1-2-18(25)22-9-13-10-23(19(26)27-13)12-4-5-14(15(20)8-12)11-3-6-17(24)16(21)7-11/h4-5,8,11,13,16-17,24H,2-3,6-7,9-10H2,1H3,(H,22,25)
InChIKeyOFCDXBWEAZSULF-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.64
Rot. Bonds5

About N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 11176500) has the molecular formula C19H24F2N2O4 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID11176500
Molecular FormulaC19H24F2N2O4
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC NameN-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1CN(c2ccc(C3CCC(O)C(F)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H24F2N2O4/c1-2-18(25)22-9-13-10-23(19(26)27-13)12-4-5-14(15(20)8-12)11-3-6-17(24)16(21)7-11/h4-5,8,11,13,16-17,24H,2-3,6-7,9-10H2,1H3,(H,22,25)
InChIKeyOFCDXBWEAZSULF-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 11176500) is N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is CCC(=O)NCC1CN(c2ccc(C3CCC(O)C(F)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is OFCDXBWEAZSULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O4/c1-2-18(25)22-9-13-10-23(19(26)27-13)12-4-5-14(15(20)8-12)11-3-6-17(24)16(21)7-11/h4-5,8,11,13,16-17,24H,2-3,6-7,9-10H2,1H3,(H,22,25).
What are the key properties of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 382.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 11176500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).