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

C22H17FN4O3 — CID 70124335

IUPACN-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C#Cc3ccc4ncccc4n3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H17FN4O3/c1-14(28)25-12-18-13-27(22(29)30-18)17-8-5-15(19(23)11-17)4-6-16-7-9-20-21(26-16)3-2-10-24-20/h2-3,5,7-11,18H,12-13H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyRJYGYIXCKVSRFE-SFHVURJKSA-N
MW404.40 g/mol
LogP2.63
Rot. Bonds3

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

N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70124335) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70124335
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C#Cc3ccc4ncccc4n3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H17FN4O3/c1-14(28)25-12-18-13-27(22(29)30-18)17-8-5-15(19(23)11-17)4-6-16-7-9-20-21(26-16)3-2-10-24-20/h2-3,5,7-11,18H,12-13H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyRJYGYIXCKVSRFE-SFHVURJKSA-N
XLogP2.63
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-2-oxo-3-quinolin-6-yl-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
CID 67664955
N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10177051
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[3-[3-fluoro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22087066
N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 141476851
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[3-[3-fluoro-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67629569
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70124335) is N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C#Cc3ccc4ncccc4n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RJYGYIXCKVSRFE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-14(28)25-12-18-13-27(22(29)30-18)17-8-5-15(19(23)11-17)4-6-16-7-9-20-21(26-16)3-2-10-24-20/h2-3,5,7-11,18H,12-13H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).