N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H18FN3O4 — CID 18740897

IUPACN-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@H](CF)N3C=O)C(=O)O1
InChIInChI=1S/C16H18FN3O4/c1-10(22)18-7-14-8-19(16(23)24-14)12-2-3-15-11(4-12)5-13(6-17)20(15)9-21/h2-4,9,13-14H,5-8H2,1H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyVLVXCBFSGFRFCE-KGLIPLIRSA-N
MW335.34 g/mol
LogP1.00
Rot. Bonds5

About N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18740897) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID18740897
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC NameN-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@H](CF)N3C=O)C(=O)O1
InChIInChI=1S/C16H18FN3O4/c1-10(22)18-7-14-8-19(16(23)24-14)12-2-3-15-11(4-12)5-13(6-17)20(15)9-21/h2-4,9,13-14H,5-8H2,1H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyVLVXCBFSGFRFCE-KGLIPLIRSA-N
XLogP1.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629
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-(2-formyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700323
N-[[3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72572015
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
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-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
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-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18740897) is N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@H](CF)N3C=O)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VLVXCBFSGFRFCE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-10(22)18-7-14-8-19(16(23)24-14)12-2-3-15-11(4-12)5-13(6-17)20(15)9-21/h2-4,9,13-14H,5-8H2,1H3,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18740897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).