4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol

C15H19N3O3 — CID 104905799

IUPAC4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESN[C@@H](Cc1ccc(O)cc1)c1nc(CC2CCOC2)no1
InChIInChI=1S/C15H19N3O3/c16-13(7-10-1-3-12(19)4-2-10)15-17-14(18-21-15)8-11-5-6-20-9-11/h1-4,11,13,19H,5-9,16H2/t11?,13-/m0/s1
InChIKeyWGVBHYIUFCZHLE-YUZLPWPTSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds5

About 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol

4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (PubChem CID 104905799) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
PubChem CID104905799
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESN[C@@H](Cc1ccc(O)cc1)c1nc(CC2CCOC2)no1
InChIInChI=1S/C15H19N3O3/c16-13(7-10-1-3-12(19)4-2-10)15-17-14(18-21-15)8-11-5-6-20-9-11/h1-4,11,13,19H,5-9,16H2/t11?,13-/m0/s1
InChIKeyWGVBHYIUFCZHLE-YUZLPWPTSA-N
XLogP1.60
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (CID 104905799) is 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is N[C@@H](Cc1ccc(O)cc1)c1nc(CC2CCOC2)no1.
What is the InChIKey of 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The InChIKey is WGVBHYIUFCZHLE-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-13(7-10-1-3-12(19)4-2-10)15-17-14(18-21-15)8-11-5-6-20-9-11/h1-4,11,13,19H,5-9,16H2/t11?,13-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol has a molecular weight of 289.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is sourced from PubChem (CID 104905799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).