N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C17H21FN2O4 — CID 54382706

IUPACN-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1COC(=O)N1c1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C17H21FN2O4/c1-11(21)19-9-14-10-24-17(22)20(14)13-2-3-15(16(18)8-13)12-4-6-23-7-5-12/h2-3,8,12,14H,4-7,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVBBFBCBUBWDAQD-AWEZNQCLSA-N
MW336.36 g/mol
LogP2.18
Rot. Bonds4

About N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 54382706) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID54382706
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC NameN-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1COC(=O)N1c1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C17H21FN2O4/c1-11(21)19-9-14-10-24-17(22)20(14)13-2-3-15(16(18)8-13)12-4-6-23-7-5-12/h2-3,8,12,14H,4-7,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVBBFBCBUBWDAQD-AWEZNQCLSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
3-(2-{3-[(3,4-Dimethylphenyl)amino]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one
CID 24790793
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
CID 11361985
(R)-3-(3-fluoro-4-(tetrahydro-2H-pyran-4-yl)phenyl)-2-oxooxazolidine-5-carboxamide
CID 9879646
(S)-N-[3-(4-Fluoro-8,9-dihydro-7H-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 44418415
2-(4-fluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67238909
2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67239519
2-(1-Methylpyrrolidin-2-
CID 117852101
3-(2-{3-[(4-Isopropylphenyl)amino]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one
CID 24816932
(S)-(-)-N-[3-[4-(3,6-Dihydro-2H-pyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl acetamide
CID 9905709
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11221306

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 54382706) is N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1COC(=O)N1c1ccc(C2CCOCC2)c(F)c1.
What is the InChIKey of N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is VBBFBCBUBWDAQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-11(21)19-9-14-10-24-17(22)20(14)13-2-3-15(16(18)8-13)12-4-6-23-7-5-12/h2-3,8,12,14H,4-7,9-10H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 54382706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).