N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C21H25FN6O3 — CID 57119406

IUPACN-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc(N2CCN(c3cnc(C)cn3)CC2)c(F)c1
InChIInChI=1S/C21H25FN6O3/c1-14-10-25-20(12-23-14)27-7-5-26(6-8-27)19-4-3-16(9-18(19)22)28-17(11-24-15(2)29)13-31-21(28)30/h3-4,9-10,12,17H,5-8,11,13H2,1-2H3,(H,24,29)
InChIKeyZNTXDUWEHJVHSL-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.71
Rot. Bonds5

About N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 57119406) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID57119406
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC NameN-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc(N2CCN(c3cnc(C)cn3)CC2)c(F)c1
InChIInChI=1S/C21H25FN6O3/c1-14-10-25-20(12-23-14)27-7-5-26(6-8-27)19-4-3-16(9-18(19)22)28-17(11-24-15(2)29)13-31-21(28)30/h3-4,9-10,12,17H,5-8,11,13H2,1-2H3,(H,24,29)
InChIKeyZNTXDUWEHJVHSL-UHFFFAOYSA-N
XLogP1.71
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)-2-hydroxyethanone
CID 11442383
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86269831
US9434719, 478 as TFA salt
CID 90414670
US9434719, 479 as TFA salt
CID 90416756
US9434719, 474 as TFA salt
CID 90417093
US9434719, 401 as TFA salt
CID 90417131
US9434719, 471 as TFA salt
CID 90417235
US9434719, 430 as TFA salt
CID 90452085
US9434719, 431 as TFA salt
CID 90452086
US9434719, 436 as TFA salt
CID 90452090
US9434719, 461 as TFA salt
CID 90452100
US9434719, 451 as TFA salt
CID 90454320

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 57119406) is N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CC(=O)NCC1COC(=O)N1c1ccc(N2CCN(c3cnc(C)cn3)CC2)c(F)c1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is ZNTXDUWEHJVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-14-10-25-20(12-23-14)27-7-5-26(6-8-27)19-4-3-16(9-18(19)22)28-17(11-24-15(2)29)13-31-21(28)30/h3-4,9-10,12,17H,5-8,11,13H2,1-2H3,(H,24,29).
What are the key properties of N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 57119406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).