(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

C29H32F2N6O8 — CID 162112890

IUPAC(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
SMILESCCN1C(=O)Cc2cc(N3C[C@@H](CN)OC3=O)cc(F)c21.CCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)O)OC3=O)cc(F)c21
InChIInChI=1S/C15H16FN3O5.C14H16FN3O3/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;1-2-17-12(19)4-8-3-9(5-11(15)13(8)17)18-7-10(6-16)21-14(18)20/h3,5,10,17H,2,4,6-7H2,1H3,(H,21,22);3,5,10H,2,4,6-7,16H2,1H3/t2*10-/m01/s1
InChIKeyZGJQYCUVFVQNHZ-QTFBQHTASA-N
MW630.61 g/mol
LogP2.35
Rot. Bonds7

About (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

(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 (PubChem CID 162112890) has the molecular formula C29H32F2N6O8 and a molecular weight of 630.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162112890
Molecular FormulaC29H32F2N6O8
Molecular Weight630.61 g/mol
Exact Mass630.22
IUPAC Name(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
SMILESCCN1C(=O)Cc2cc(N3C[C@@H](CN)OC3=O)cc(F)c21.CCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)O)OC3=O)cc(F)c21
InChIInChI=1S/C15H16FN3O5.C14H16FN3O3/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;1-2-17-12(19)4-8-3-9(5-11(15)13(8)17)18-7-10(6-16)21-14(18)20/h3,5,10,17H,2,4,6-7H2,1H3,(H,21,22);3,5,10H,2,4,6-7,16H2,1H3/t2*10-/m01/s1
InChIKeyZGJQYCUVFVQNHZ-QTFBQHTASA-N
XLogP2.35
TPSA175.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.61
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 162112891
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
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazine-1-carboxylic acid;4-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazine-1-carboxylic acid;methane;propane-2-thione
CID 159796779
[(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
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN1C(=O)Cc2cc(N3C[C@@H](CN)OC3=O)cc(F)c21.CCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)O)OC3=O)cc(F)c21.
What is the InChIKey of (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?
The InChIKey is ZGJQYCUVFVQNHZ-QTFBQHTASA-N. The full InChI is InChI=1S/C15H16FN3O5.C14H16FN3O3/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;1-2-17-12(19)4-8-3-9(5-11(15)13(8)17)18-7-10(6-16)21-14(18)20/h3,5,10,17H,2,4,6-7H2,1H3,(H,21,22);3,5,10H,2,4,6-7,16H2,1H3/t2*10-/m01/s1.
What are the key properties of (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?
(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 has a molecular weight of 630.61 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162112890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).