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

C13H14ClF2N3O2 — CID 107315682

IUPAC(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESN[C@@H](c1nc(CCOCC(F)F)no1)c1ccccc1Cl
InChIInChI=1S/C13H14ClF2N3O2/c14-9-4-2-1-3-8(9)12(17)13-18-11(19-21-13)5-6-20-7-10(15)16/h1-4,10,12H,5-7,17H2/t12-/m1/s1
InChIKeyUYLGLAJUUATFQI-GFCCVEGCSA-N
MW317.72 g/mol
LogP2.60
Rot. Bonds7

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

(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 107315682) has the molecular formula C13H14ClF2N3O2 and a molecular weight of 317.72 g/mol. Its IUPAC name is (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID107315682
Molecular FormulaC13H14ClF2N3O2
Molecular Weight317.72 g/mol
Exact Mass317.07
IUPAC Name(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESN[C@@H](c1nc(CCOCC(F)F)no1)c1ccccc1Cl
InChIInChI=1S/C13H14ClF2N3O2/c14-9-4-2-1-3-8(9)12(17)13-18-11(19-21-13)5-6-20-7-10(15)16/h1-4,10,12H,5-7,17H2/t12-/m1/s1
InChIKeyUYLGLAJUUATFQI-GFCCVEGCSA-N
XLogP2.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315560
5-[chloro(phenyl)methyl]-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145864
3-chloro-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146345
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315488
5-(diethoxymethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103150936
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 103146221
2-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273848
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103150940
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
2,4-dichloro-6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146191
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 103151066

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 107315682) is (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine is N[C@@H](c1nc(CCOCC(F)F)no1)c1ccccc1Cl.
What is the InChIKey of (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is UYLGLAJUUATFQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14ClF2N3O2/c14-9-4-2-1-3-8(9)12(17)13-18-11(19-21-13)5-6-20-7-10(15)16/h1-4,10,12H,5-7,17H2/t12-/m1/s1.
What are the key properties of (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine?
(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 317.72 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 107315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).