3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol

C14H19N3O2 — CID 70977912

IUPAC3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol
SMILESC[C@](N)(Cc1c[nH]c2cccc(O)c12)C1NCCO1
InChIInChI=1S/C14H19N3O2/c1-14(15,13-16-5-6-19-13)7-9-8-17-10-3-2-4-11(18)12(9)10/h2-4,8,13,16-18H,5-7,15H2,1H3/t13?,14-/m0/s1
InChIKeyAORUUEAJGMVHMW-KZUDCZAMSA-N
MW261.32 g/mol
LogP1.08
Rot. Bonds3

About 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol

3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol (PubChem CID 70977912) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol
PubChem CID70977912
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol
SMILESC[C@](N)(Cc1c[nH]c2cccc(O)c12)C1NCCO1
InChIInChI=1S/C14H19N3O2/c1-14(15,13-16-5-6-19-13)7-9-8-17-10-3-2-4-11(18)12(9)10/h2-4,8,13,16-18H,5-7,15H2,1H3/t13?,14-/m0/s1
InChIKeyAORUUEAJGMVHMW-KZUDCZAMSA-N
XLogP1.08
TPSA83.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol?
The IUPAC name of 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol (CID 70977912) is 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol?
The canonical SMILES for 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol is C[C@](N)(Cc1c[nH]c2cccc(O)c12)C1NCCO1.
What is the InChIKey of 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol?
The InChIKey is AORUUEAJGMVHMW-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(15,13-16-5-6-19-13)7-9-8-17-10-3-2-4-11(18)12(9)10/h2-4,8,13,16-18H,5-7,15H2,1H3/t13?,14-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol?
3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol has a molecular weight of 261.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-2-(1,3-oxazolidin-2-yl)propyl]-1H-indol-4-ol is sourced from PubChem (CID 70977912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).