(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol

C13H17N3O2 — CID 94160198

IUPAC(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-2-11(9-17)14-8-12-15-16-13(18-12)10-6-4-3-5-7-10/h3-7,11,14,17H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyXRZUFRHOJSGYMP-LLVKDONJSA-N
MW247.30 g/mol
LogP1.60
Rot. Bonds6

About (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol

(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol (PubChem CID 94160198) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
PubChem CID94160198
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H17N3O2/c1-2-11(9-17)14-8-12-15-16-13(18-12)10-6-4-3-5-7-10/h3-7,11,14,17H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyXRZUFRHOJSGYMP-LLVKDONJSA-N
XLogP1.60
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol 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

2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
3,3-dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 106146530
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 95131861
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
CID 78818492
(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95351926
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol (CID 94160198) is (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
The InChIKey is XRZUFRHOJSGYMP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-11(9-17)14-8-12-15-16-13(18-12)10-6-4-3-5-7-10/h3-7,11,14,17H,2,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol?
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 94160198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).