(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol

C13H17N3O2 — CID 70130064

IUPAC(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
SMILESCCCC(N)[C@H](O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-2-6-10(14)11(17)13-16-15-12(18-13)9-7-4-3-5-8-9/h3-5,7-8,10-11,17H,2,6,14H2,1H3/t10?,11-/m0/s1
InChIKeyXCHUBGDEDOARFP-DTIOYNMSSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds5

About (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol

(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol (PubChem CID 70130064) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
PubChem CID70130064
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
SMILESCCCC(N)[C@H](O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-2-6-10(14)11(17)13-16-15-12(18-13)9-7-4-3-5-8-9/h3-5,7-8,10-11,17H,2,6,14H2,1H3/t10?,11-/m0/s1
InChIKeyXCHUBGDEDOARFP-DTIOYNMSSA-N
XLogP1.90
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol?
The IUPAC name of (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol (CID 70130064) is (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol.
What is the SMILES notation for (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol?
The canonical SMILES for (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol is CCCC(N)[C@H](O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol?
The InChIKey is XCHUBGDEDOARFP-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-6-10(14)11(17)13-16-15-12(18-13)9-7-4-3-5-8-9/h3-5,7-8,10-11,17H,2,6,14H2,1H3/t10?,11-/m0/s1.
What are the key properties of (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol?
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 70130064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).