3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol

C14H19N3O2 — CID 124850642

IUPAC3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol
SMILESCC[C@@H](N[C@@H](C)c1cccc(O)c1)c1noc(C)n1
InChIInChI=1S/C14H19N3O2/c1-4-13(14-16-10(3)19-17-14)15-9(2)11-6-5-7-12(18)8-11/h5-9,13,15,18H,4H2,1-3H3/t9-,13+/m0/s1
InChIKeyQWGXUIBOQUJAEM-TVQRCGJNSA-N
MW261.32 g/mol
LogP2.89
Rot. Bonds5

About 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol

3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol (PubChem CID 124850642) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol
PubChem CID124850642
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol
SMILESCC[C@@H](N[C@@H](C)c1cccc(O)c1)c1noc(C)n1
InChIInChI=1S/C14H19N3O2/c1-4-13(14-16-10(3)19-17-14)15-9(2)11-6-5-7-12(18)8-11/h5-9,13,15,18H,4H2,1-3H3/t9-,13+/m0/s1
InChIKeyQWGXUIBOQUJAEM-TVQRCGJNSA-N
XLogP2.89
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol with MolForge

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Related Compounds

3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate
CID 75377435
methyl (2S)-2-(3-cyanophenyl)-2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]acetate
CID 96792294
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710
3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
CID 43748567
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol?
The IUPAC name of 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol (CID 124850642) is 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol?
The canonical SMILES for 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol is CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1noc(C)n1.
What is the InChIKey of 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol?
The InChIKey is QWGXUIBOQUJAEM-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-13(14-16-10(3)19-17-14)15-9(2)11-6-5-7-12(18)8-11/h5-9,13,15,18H,4H2,1-3H3/t9-,13+/m0/s1.
What are the key properties of 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol?
3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol is sourced from PubChem (CID 124850642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).