N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H26FN3O5 — CID 59754116

IUPACN-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC4(OCCO4)C(C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H26FN3O5/c1-13-11-23(6-5-20(13)27-7-8-28-20)18-4-3-15(9-17(18)21)24-12-16(29-19(24)26)10-22-14(2)25/h3-4,9,13,16H,5-8,10-12H2,1-2H3,(H,22,25)/t13?,16-/m0/s1
InChIKeyGKEFWWBJBCMNTH-VYIIXAMBSA-N
MW407.44 g/mol
LogP1.88
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 59754116) has the molecular formula C20H26FN3O5 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID59754116
Molecular FormulaC20H26FN3O5
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC4(OCCO4)C(C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H26FN3O5/c1-13-11-23(6-5-20(13)27-7-8-28-20)18-4-3-15(9-17(18)21)24-12-16(29-19(24)26)10-22-14(2)25/h3-4,9,13,16H,5-8,10-12H2,1-2H3,(H,22,25)/t13?,16-/m0/s1
InChIKeyGKEFWWBJBCMNTH-VYIIXAMBSA-N
XLogP1.88
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 59754116) is N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCC4(OCCO4)C(C)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GKEFWWBJBCMNTH-VYIIXAMBSA-N. The full InChI is InChI=1S/C20H26FN3O5/c1-13-11-23(6-5-20(13)27-7-8-28-20)18-4-3-15(9-17(18)21)24-12-16(29-19(24)26)10-22-14(2)25/h3-4,9,13,16H,5-8,10-12H2,1-2H3,(H,22,25)/t13?,16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 407.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 59754116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).