N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H27FN4O5 — CID 10182913

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C(C)CN(C(=O)c4ccco4)CC3C)c(F)c2)C(=O)O1
InChIInChI=1S/C23H27FN4O5/c1-14-11-26(22(30)21-5-4-8-32-21)12-15(2)28(14)20-7-6-17(9-19(20)24)27-13-18(33-23(27)31)10-25-16(3)29/h4-9,14-15,18H,10-13H2,1-3H3,(H,25,29)/t14?,15?,18-/m0/s1
InChIKeyPROYYHSRNKDXTL-JMLCCBQJSA-N
MW458.49 g/mol
LogP2.62
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10182913) has the molecular formula C23H27FN4O5 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10182913
Molecular FormulaC23H27FN4O5
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C(C)CN(C(=O)c4ccco4)CC3C)c(F)c2)C(=O)O1
InChIInChI=1S/C23H27FN4O5/c1-14-11-26(22(30)21-5-4-8-32-21)12-15(2)28(14)20-7-6-17(9-19(20)24)27-13-18(33-23(27)31)10-25-16(3)29/h4-9,14-15,18H,10-13H2,1-3H3,(H,25,29)/t14?,15?,18-/m0/s1
InChIKeyPROYYHSRNKDXTL-JMLCCBQJSA-N
XLogP2.62
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10904865
N-[[(5S)-3-[3-fluoro-4-[(2S)-3-fluoro-2-methylazetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70193904
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10195232
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
methyl N-[(3S,4S)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-methylpyrrolidin-3-yl]carbamate
CID 70197333
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10182913) is N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3C(C)CN(C(=O)c4ccco4)CC3C)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PROYYHSRNKDXTL-JMLCCBQJSA-N. The full InChI is InChI=1S/C23H27FN4O5/c1-14-11-26(22(30)21-5-4-8-32-21)12-15(2)28(14)20-7-6-17(9-19(20)24)27-13-18(33-23(27)31)10-25-16(3)29/h4-9,14-15,18H,10-13H2,1-3H3,(H,25,29)/t14?,15?,18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 458.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10182913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).