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

C18H25FN4O4 — CID 58003518

IUPACN-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(OCCN3CCNCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H25FN4O4/c1-13(24)21-11-15-12-23(18(25)27-15)14-2-3-17(16(19)10-14)26-9-8-22-6-4-20-5-7-22/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,21,24)
InChIKeyTZALASOPCKBGGW-UHFFFAOYSA-N
MW380.42 g/mol
LogP0.57
Rot. Bonds7

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

N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58003518) has the molecular formula C18H25FN4O4 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58003518
Molecular FormulaC18H25FN4O4
Molecular Weight380.42 g/mol
Exact Mass380.19
IUPAC NameN-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(OCCN3CCNCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H25FN4O4/c1-13(24)21-11-15-12-23(18(25)27-15)14-2-3-17(16(19)10-14)26-9-8-22-6-4-20-5-7-22/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,21,24)
InChIKeyTZALASOPCKBGGW-UHFFFAOYSA-N
XLogP0.57
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 101338166
N-[[(5S)-3-[4-[2-[(3S,4S)-3,4-dihydroxypiperidin-4-yl]ethoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[(3S,4S)-4-methoxypyrrolidin-3-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 160589278
O-methyl N-[[(5S)-3-[3-fluoro-4-(2-thiomorpholin-4-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 10048277
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[3-fluoro-4-(6-hydroxy-1,4-diazepan-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 73056504
N-[[3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938305
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-hydroxyazepane-1-carboxylic acid
CID 142755752

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58003518) is N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(OCCN3CCNCC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is TZALASOPCKBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O4/c1-13(24)21-11-15-12-23(18(25)27-15)14-2-3-17(16(19)10-14)26-9-8-22-6-4-20-5-7-22/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 380.42 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58003518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).