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

C18H18FN3O — CID 94015415

IUPAC(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
SMILESC[C@H](N[C@H](C)c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18FN3O/c1-12(14-8-10-16(19)11-9-14)20-13(2)17-21-22-18(23-17)15-6-4-3-5-7-15/h3-13,20H,1-2H3/t12-,13+/m1/s1
InChIKeyFJYBPSAYQPCJKT-OLZOCXBDSA-N
MW311.36 g/mol
LogP4.29
Rot. Bonds5

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

(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine (PubChem CID 94015415) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
PubChem CID94015415
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
SMILESC[C@H](N[C@H](C)c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18FN3O/c1-12(14-8-10-16(19)11-9-14)20-13(2)17-21-22-18(23-17)15-6-4-3-5-7-15/h3-13,20H,1-2H3/t12-,13+/m1/s1
InChIKeyFJYBPSAYQPCJKT-OLZOCXBDSA-N
XLogP4.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline
CID 20944407
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cycloheptanamine
CID 92707782
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylaniline
CID 92700673
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxyaniline
CID 22432970
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 22432811
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
CID 40881264
2-(4-chlorophenyl)-N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 92707754
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylaniline
CID 22432969
(1S)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 92707787
(1R)-1-(4-chlorophenyl)-N-[(1S)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
CID 8636329

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine (CID 94015415) is (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine is C[C@H](N[C@H](C)c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The InChIKey is FJYBPSAYQPCJKT-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12(14-8-10-16(19)11-9-14)20-13(2)17-21-22-18(23-17)15-6-4-3-5-7-15/h3-13,20H,1-2H3/t12-,13+/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine has a molecular weight of 311.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 94015415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).