N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H22FN3O5 — CID 20638823

IUPACN-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CNC(C(=O)CO)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22FN3O5/c1-11(25)21-8-14-9-23(19(27)28-14)13-3-4-15(16(20)6-13)12-2-5-17(22-7-12)18(26)10-24/h3-4,6-7,14,17,22,24H,2,5,8-10H2,1H3,(H,21,25)/t14-,17?/m0/s1
InChIKeyHWCXFZRIGZBOOW-MBIQTGHCSA-N
MW391.40 g/mol
LogP0.94
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 20638823) has the molecular formula C19H22FN3O5 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID20638823
Molecular FormulaC19H22FN3O5
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CNC(C(=O)CO)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H22FN3O5/c1-11(25)21-8-14-9-23(19(27)28-14)13-3-4-15(16(20)6-13)12-2-5-17(22-7-12)18(26)10-24/h3-4,6-7,14,17,22,24H,2,5,8-10H2,1H3,(H,21,25)/t14-,17?/m0/s1
InChIKeyHWCXFZRIGZBOOW-MBIQTGHCSA-N
XLogP0.94
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-[(1S,2S,4S)-4-[[(2S)-2-Acetamido-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]-2-oxo-3-phenyl-oxazolidine-5-carboxamide
CID 17756383
(5R)-N-[(1S,2S,4S)-4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]-2-oxo-3-phenyl-oxazolidine-5-carboxamide
CID 17755208
(5S)-N-[(1S,2S,4S)-4-[[(2S)-2-Acetamido-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]-3-(3,4-difluorophenyl)-2-oxo-oxazolidine-5-carboxamide
CID 17756384
(S)-2-[((R)-2-Methyl-tetrahydro-furan-2-carbonyl)-amino]-3-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-propionic acid
CID 44284080
3-((S)-2-Cyclohexyl-2-phenylcarbamoyloxy-acetylamino)-5-fluoro-4-oxo-pentanoic acid
CID 44389792
(5S)-N-[(2S,5S)-5-[(2-acetamido-3-methylbutanoyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
CID 52942596
(5S)-N-[(2S,5S)-5-[(2-acetamido-3-methylbutanoyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 52943785
N-[[(5S)-3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18716149
(2S)-2-[[(2S,3R)-3-amino-4-(4-aminophenyl)-2-hydroxybutanoyl]amino]-4-methylpentanoic acid
CID 54086750
N-Boc-4-(bis(2-hydroxyethyl)amino)-L-phenylalanine methyl ester
CID 29974573
3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 10451392
N-[[(5S)-2-oxo-3-[4-(2-oxopropyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011329

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 20638823) is N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CNC(C(=O)CO)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HWCXFZRIGZBOOW-MBIQTGHCSA-N. The full InChI is InChI=1S/C19H22FN3O5/c1-11(25)21-8-14-9-23(19(27)28-14)13-3-4-15(16(20)6-13)12-2-5-17(22-7-12)18(26)10-24/h3-4,6-7,14,17,22,24H,2,5,8-10H2,1H3,(H,21,25)/t14-,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 391.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,4-tetrahydropyridin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 20638823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).