4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C15H17N3O2 — CID 70268262

IUPAC4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESN[C@H]1CC1c1c[nH]c2ccc(CC3COC(=O)N3)cc12
InChIInChI=1S/C15H17N3O2/c16-13-5-10(13)12-6-17-14-2-1-8(4-11(12)14)3-9-7-20-15(19)18-9/h1-2,4,6,9-10,13,17H,3,5,7,16H2,(H,18,19)/t9?,10?,13-/m0/s1
InChIKeyHBBBTVFPNBBZKV-ZPPKWKGLSA-N
MW271.32 g/mol
LogP1.63
Rot. Bonds3

About 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 70268262) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID70268262
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESN[C@H]1CC1c1c[nH]c2ccc(CC3COC(=O)N3)cc12
InChIInChI=1S/C15H17N3O2/c16-13-5-10(13)12-6-17-14-2-1-8(4-11(12)14)3-9-7-20-15(19)18-9/h1-2,4,6,9-10,13,17H,3,5,7,16H2,(H,18,19)/t9?,10?,13-/m0/s1
InChIKeyHBBBTVFPNBBZKV-ZPPKWKGLSA-N
XLogP1.63
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one 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

4-[[3-(3-aminocyclobutyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18691541
4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18366015
4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
CID 70195086
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756
(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59719933
4-[[3-[2-(trideuteriomethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 154731311
but-2-enedioic acid;4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70195986
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]methyl]-1,3-oxazolidin-2-one
CID 169444200
4-[(4-amino-3-iodophenyl)methyl]-1,3-oxazolidin-2-one
CID 19358405
(4S)-4-[[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;(4S)-4-[[3-[2-[bis(trideuteriomethyl)amino]-2,2-dideuterioethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;(4S)-4-[[3-[1,1-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;(4S)-4-[[3-[2,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;(4S)-4-[[3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 160855534
2-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzenesulfonamide
CID 11323624

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 70268262) is 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is N[C@H]1CC1c1c[nH]c2ccc(CC3COC(=O)N3)cc12.
What is the InChIKey of 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is HBBBTVFPNBBZKV-ZPPKWKGLSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-13-5-10(13)12-6-17-14-2-1-8(4-11(12)14)3-9-7-20-15(19)18-9/h1-2,4,6,9-10,13,17H,3,5,7,16H2,(H,18,19)/t9?,10?,13-/m0/s1.
What are the key properties of 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70268262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).