(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine

C12H11ClF3N3O — CID 107315560

IUPAC(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESN[C@@H](c1nc(CCC(F)(F)F)no1)c1ccccc1Cl
InChIInChI=1S/C12H11ClF3N3O/c13-8-4-2-1-3-7(8)10(17)11-18-9(19-20-11)5-6-12(14,15)16/h1-4,10H,5-6,17H2/t10-/m1/s1
InChIKeyUORHCAHLHBWNRE-SNVBAGLBSA-N
MW305.69 g/mol
LogP3.27
Rot. Bonds4

About (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine

(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 107315560) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID107315560
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESN[C@@H](c1nc(CCC(F)(F)F)no1)c1ccccc1Cl
InChIInChI=1S/C12H11ClF3N3O/c13-8-4-2-1-3-7(8)10(17)11-18-9(19-20-11)5-6-12(14,15)16/h1-4,10H,5-6,17H2/t10-/m1/s1
InChIKeyUORHCAHLHBWNRE-SNVBAGLBSA-N
XLogP3.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107315627
(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315682
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315488
1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954731
2-amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954560
3-methyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79953254
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 86922549
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
CID 107315622

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 107315560) is (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine is N[C@@H](c1nc(CCC(F)(F)F)no1)c1ccccc1Cl.
What is the InChIKey of (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is UORHCAHLHBWNRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c13-8-4-2-1-3-7(8)10(17)11-18-9(19-20-11)5-6-12(14,15)16/h1-4,10H,5-6,17H2/t10-/m1/s1.
What are the key properties of (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine?
(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 305.69 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 107315560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).