N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

C17H18FN3O4 — CID 67586516

IUPACN-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CN(c2ccc(-n3ccc(CO)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H18FN3O4/c1-11(23)19(2)16-9-21(17(24)25-16)13-3-4-15(14(18)7-13)20-6-5-12(8-20)10-22/h3-8,16,22H,9-10H2,1-2H3
InChIKeyYPNBTTQBNQZYLN-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.87
Rot. Bonds4

About N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (PubChem CID 67586516) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
PubChem CID67586516
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC NameN-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CN(c2ccc(-n3ccc(CO)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H18FN3O4/c1-11(23)19(2)16-9-21(17(24)25-16)13-3-4-15(14(18)7-13)20-6-5-12(8-20)10-22/h3-8,16,22H,9-10H2,1-2H3
InChIKeyYPNBTTQBNQZYLN-UHFFFAOYSA-N
XLogP1.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-fluoro-4-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67577632
ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate
CID 67578710
N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67550647
N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050036
N-[[(5S)-3-[3-fluoro-4-[3-[(E)-N'-hydroxycarbamimidoyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050343
S-methyl N-[3-[4-[4-(2-cyanoacetyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate
CID 25164728
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
N-[[(5S)-3-[3-fluoro-4-[3-[(E)-methoxyiminomethyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10714429
N-[[(5S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54069801
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
O-methyl N-[3-[4-[4-[2-(2,3-dihydroxypropoxy)acetyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate
CID 25165334

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The IUPAC name of N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (CID 67586516) is N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is CC(=O)N(C)C1CN(c2ccc(-n3ccc(CO)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The InChIKey is YPNBTTQBNQZYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11(23)19(2)16-9-21(17(24)25-16)13-3-4-15(14(18)7-13)20-6-5-12(8-20)10-22/h3-8,16,22H,9-10H2,1-2H3.
What are the key properties of N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide has a molecular weight of 347.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 67586516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).