(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol

C15H17N3O2 — CID 137340517

IUPAC(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2CN(Cc3nc(-c4ccccc4)no3)C[C@@H]21
InChIInChI=1S/C15H17N3O2/c19-13-6-11-7-18(8-12(11)13)9-14-16-15(17-20-14)10-4-2-1-3-5-10/h1-5,11-13,19H,6-9H2/t11-,12+,13-/m1/s1
InChIKeyOFBDVUNIBYFXJE-FRRDWIJNSA-N
MW271.32 g/mol
LogP1.55
Rot. Bonds3

About (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol

(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 137340517) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID137340517
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2CN(Cc3nc(-c4ccccc4)no3)C[C@@H]21
InChIInChI=1S/C15H17N3O2/c19-13-6-11-7-18(8-12(11)13)9-14-16-15(17-20-14)10-4-2-1-3-5-10/h1-5,11-13,19H,6-9H2/t11-,12+,13-/m1/s1
InChIKeyOFBDVUNIBYFXJE-FRRDWIJNSA-N
XLogP1.55
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-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-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64618321
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 74229739
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3,4-diol
CID 106672017
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128986665
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-(3-bromophenyl)-1,2,4-oxadiazole
CID 60916558
3-(4-chlorophenyl)-5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8539727

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol (CID 137340517) is (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol is O[C@@H]1C[C@@H]2CN(Cc3nc(-c4ccccc4)no3)C[C@@H]21.
What is the InChIKey of (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is OFBDVUNIBYFXJE-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13-6-11-7-18(8-12(11)13)9-14-16-15(17-20-14)10-4-2-1-3-5-10/h1-5,11-13,19H,6-9H2/t11-,12+,13-/m1/s1.
What are the key properties of (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 271.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 137340517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).