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

C19H24FN3O4S — CID 68698639

IUPACN-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCC4(CC3)OCCS4)c(F)c2)C(=O)O1
InChIInChI=1S/C19H24FN3O4S/c1-13(24)21-11-15-12-23(18(25)27-15)14-2-3-17(16(20)10-14)22-6-4-19(5-7-22)26-8-9-28-19/h2-3,10,15H,4-9,11-12H2,1H3,(H,21,24)
InChIKeyDVDNQRXNUDWHFV-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.35
Rot. Bonds4

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

N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68698639) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID68698639
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC NameN-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCC4(CC3)OCCS4)c(F)c2)C(=O)O1
InChIInChI=1S/C19H24FN3O4S/c1-13(24)21-11-15-12-23(18(25)27-15)14-2-3-17(16(20)10-14)22-6-4-19(5-7-22)26-8-9-28-19/h2-3,10,15H,4-9,11-12H2,1H3,(H,21,24)
InChIKeyDVDNQRXNUDWHFV-UHFFFAOYSA-N
XLogP2.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.35
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-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68698639) is N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC4(CC3)OCCS4)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DVDNQRXNUDWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-13(24)21-11-15-12-23(18(25)27-15)14-2-3-17(16(20)10-14)22-6-4-19(5-7-22)26-8-9-28-19/h2-3,10,15H,4-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 409.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68698639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).