N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H21FN4O4S — CID 22625671

IUPACN-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C3=CCCN(C4=NC(=O)CS4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN4O4S/c1-12(26)22-8-15-10-25(20(28)29-15)14-4-5-16(17(21)7-14)13-3-2-6-24(9-13)19-23-18(27)11-30-19/h3-5,7,15H,2,6,8-11H2,1H3,(H,22,26)
InChIKeyMEGBYMRVHYMTID-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.01
Rot. Bonds4

About N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22625671) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID22625671
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C3=CCCN(C4=NC(=O)CS4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN4O4S/c1-12(26)22-8-15-10-25(20(28)29-15)14-4-5-16(17(21)7-14)13-3-2-6-24(9-13)19-23-18(27)11-30-19/h3-5,7,15H,2,6,8-11H2,1H3,(H,22,26)
InChIKeyMEGBYMRVHYMTID-UHFFFAOYSA-N
XLogP2.01
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22625671) is N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C3=CCCN(C4=NC(=O)CS4)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is MEGBYMRVHYMTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-12(26)22-8-15-10-25(20(28)29-15)14-4-5-16(17(21)7-14)13-3-2-6-24(9-13)19-23-18(27)11-30-19/h3-5,7,15H,2,6,8-11H2,1H3,(H,22,26).
What are the key properties of N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[1-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.01, 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-(4-oxo-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22625671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).