(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C17H18FN3OS — CID 95157002

IUPAC(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccc(F)cc1
InChIInChI=1S/C17H18FN3OS/c1-12(16-19-20-17(22-16)15-4-3-11-23-15)21(2)10-9-13-5-7-14(18)8-6-13/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyCQUKVXAYTMOXDP-GFCCVEGCSA-N
MW331.42 g/mol
LogP4.17
Rot. Bonds6

About (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 95157002) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID95157002
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccc(F)cc1
InChIInChI=1S/C17H18FN3OS/c1-12(16-19-20-17(22-16)15-4-3-11-23-15)21(2)10-9-13-5-7-14(18)8-6-13/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyCQUKVXAYTMOXDP-GFCCVEGCSA-N
XLogP4.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 95157002) is (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is C[C@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccc(F)cc1.
What is the InChIKey of (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is CQUKVXAYTMOXDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-12(16-19-20-17(22-16)15-4-3-11-23-15)21(2)10-9-13-5-7-14(18)8-6-13/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 331.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 95157002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).