(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol

C12H21N3O2 — CID 104965493

IUPAC(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-8(16)10(13)12-14-11(15-17-12)9-6-4-2-3-5-7-9/h8-10,16H,2-7,13H2,1H3/t8-,10+/m1/s1
InChIKeyFFIQQTCACCUJNL-SCZZXKLOSA-N
MW239.32 g/mol
LogP1.89
Rot. Bonds3

About (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol

(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 104965493) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID104965493
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-8(16)10(13)12-14-11(15-17-12)9-6-4-2-3-5-7-9/h8-10,16H,2-7,13H2,1H3/t8-,10+/m1/s1
InChIKeyFFIQQTCACCUJNL-SCZZXKLOSA-N
XLogP1.89
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-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

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114215111
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
CID 116682608
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 104965493) is (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol is C[C@@H](O)[C@H](N)c1nc(C2CCCCCC2)no1.
What is the InChIKey of (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is FFIQQTCACCUJNL-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(16)10(13)12-14-11(15-17-12)9-6-4-2-3-5-7-9/h8-10,16H,2-7,13H2,1H3/t8-,10+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 104965493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).