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

C11H12ClN3O2 — CID 94352485

IUPAC(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H12ClN3O2/c1-6(16)9(13)11-14-10(15-17-11)7-4-2-3-5-8(7)12/h2-6,9,16H,13H2,1H3/t6-,9+/m1/s1
InChIKeyVVNNXRYESIWOLX-MUWHJKNJSA-N
MW253.69 g/mol
LogP1.77
Rot. Bonds3

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

(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 94352485) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID94352485
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H12ClN3O2/c1-6(16)9(13)11-14-10(15-17-11)7-4-2-3-5-8(7)12/h2-6,9,16H,13H2,1H3/t6-,9+/m1/s1
InChIKeyVVNNXRYESIWOLX-MUWHJKNJSA-N
XLogP1.77
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

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Related Compounds

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114876663
1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63218930
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63352599
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
(1S,2R)-1-amino-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103083443
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63352336
2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62717069
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 94352485) is (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is C[C@@H](O)[C@H](N)c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is VVNNXRYESIWOLX-MUWHJKNJSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6(16)9(13)11-14-10(15-17-11)7-4-2-3-5-8(7)12/h2-6,9,16H,13H2,1H3/t6-,9+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 253.69 g/mol, XLogP of 1.77, 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-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 94352485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).