N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H23FN4O5 — CID 70201982

IUPACN-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4CN(C(=O)CO)C[C@@H]43)c(F)c2)C(=O)O1
InChIInChI=1S/C19H23FN4O5/c1-11(26)21-5-14-8-23(19(28)29-14)13-2-3-16(15(20)4-13)24-7-12-6-22(9-17(12)24)18(27)10-25/h2-4,12,14,17,25H,5-10H2,1H3,(H,21,26)/t12-,14-,17-/m0/s1
InChIKeyYIDXOCCSJCQCQG-JDFRZJQESA-N
MW406.41 g/mol
LogP-0.07
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70201982) has the molecular formula C19H23FN4O5 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70201982
Molecular FormulaC19H23FN4O5
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4CN(C(=O)CO)C[C@@H]43)c(F)c2)C(=O)O1
InChIInChI=1S/C19H23FN4O5/c1-11(26)21-5-14-8-23(19(28)29-14)13-2-3-16(15(20)4-13)24-7-12-6-22(9-17(12)24)18(27)10-25/h2-4,12,14,17,25H,5-10H2,1H3,(H,21,26)/t12-,14-,17-/m0/s1
InChIKeyYIDXOCCSJCQCQG-JDFRZJQESA-N
XLogP-0.07
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[3-fluoro-4-[3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700378
N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700344
2,2,2-trideuterio-N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 171381822
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-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
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-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
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
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70201982) is N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4CN(C(=O)CO)C[C@@H]43)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YIDXOCCSJCQCQG-JDFRZJQESA-N. The full InChI is InChI=1S/C19H23FN4O5/c1-11(26)21-5-14-8-23(19(28)29-14)13-2-3-16(15(20)4-13)24-7-12-6-22(9-17(12)24)18(27)10-25/h2-4,12,14,17,25H,5-10H2,1H3,(H,21,26)/t12-,14-,17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 406.41 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1R,5R)-3-(2-hydroxyacetyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70201982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).