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

C19H22FN5O5 — CID 57001630

IUPACN-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCN(c4nc(O)co4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22FN5O5/c1-12(26)21-9-14-10-25(19(28)30-14)13-2-3-16(15(20)8-13)23-4-6-24(7-5-23)18-22-17(27)11-29-18/h2-3,8,11,14,27H,4-7,9-10H2,1H3,(H,21,26)
InChIKeyJOMVWPUICRNUQB-UHFFFAOYSA-N
MW419.41 g/mol
LogP1.31
Rot. Bonds5

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

N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57001630) has the molecular formula C19H22FN5O5 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57001630
Molecular FormulaC19H22FN5O5
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCN(c4nc(O)co4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22FN5O5/c1-12(26)21-9-14-10-25(19(28)30-14)13-2-3-16(15(20)8-13)23-4-6-24(7-5-23)18-22-17(27)11-29-18/h2-3,8,11,14,27H,4-7,9-10H2,1H3,(H,21,26)
InChIKeyJOMVWPUICRNUQB-UHFFFAOYSA-N
XLogP1.31
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57001630) is N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCN(c4nc(O)co4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JOMVWPUICRNUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O5/c1-12(26)21-9-14-10-25(19(28)30-14)13-2-3-16(15(20)8-13)23-4-6-24(7-5-23)18-22-17(27)11-29-18/h2-3,8,11,14,27H,4-7,9-10H2,1H3,(H,21,26).
What are the key properties of N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 419.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-(4-hydroxy-1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57001630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).