[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid

C15H16FN3O5 — CID 162112891

IUPAC[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
SMILESCCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)O)OC3=O)cc(F)c21
InChIInChI=1S/C15H16FN3O5/c1-2-18-12(20)4-8-3-9(5-11(16)13(8)18)19-7-10(24-15(19)23)6-17-14(21)22/h3,5,10,17H,2,4,6-7H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeyNAJMLMCORXKRKO-JTQLQIEISA-N
MW337.31 g/mol
LogP1.33
Rot. Bonds4

About [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid

[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid (PubChem CID 162112891) has the molecular formula C15H16FN3O5 and a molecular weight of 337.31 g/mol. Its IUPAC name is [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
PubChem CID162112891
Molecular FormulaC15H16FN3O5
Molecular Weight337.31 g/mol
Exact Mass337.11
IUPAC Name[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
SMILESCCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)O)OC3=O)cc(F)c21
InChIInChI=1S/C15H16FN3O5/c1-2-18-12(20)4-8-3-9(5-11(16)13(8)18)19-7-10(24-15(19)23)6-17-14(21)22/h3,5,10,17H,2,4,6-7H2,1H3,(H,21,22)/t10-/m0/s1
InChIKeyNAJMLMCORXKRKO-JTQLQIEISA-N
XLogP1.33
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid with MolForge

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Related Compounds

(5R)-5-(aminomethyl)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-1,3-oxazolidin-2-one;[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 162112890
tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride
CID 159109703
methyl N-[[(5S)-3-(7-fluoro-2-oxo-1-propyl-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 11951668
tert-butyl N-[[3-(7-fluoro-2-oxo-1-propyl-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69274123
tert-butyl N-[[(5S)-3-(7-fluoro-2-oxo-1-propyl-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69274119
[(5S)-3-[3,5-difluoro-4-(3-methoxyiminoazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 87806508
methyl N-[[3-(1-cyclopropyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69275405
3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 22505084
[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 154336365
N-[[(5S)-3-(9-fluoro-1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 23660122
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The IUPAC name of [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid (CID 162112891) is [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid.
What is the SMILES notation for [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The canonical SMILES for [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid is CCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)O)OC3=O)cc(F)c21.
What is the InChIKey of [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The InChIKey is NAJMLMCORXKRKO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3O5/c1-2-18-12(20)4-8-3-9(5-11(16)13(8)18)19-7-10(24-15(19)23)6-17-14(21)22/h3,5,10,17H,2,4,6-7H2,1H3,(H,21,22)/t10-/m0/s1.
What are the key properties of [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid has a molecular weight of 337.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid is sourced from PubChem (CID 162112891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).