(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

C14H14FN5O — CID 104894582

IUPAC(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H14FN5O/c15-10-3-1-2-9(4-10)5-13-19-14(21-20-13)12(16)6-11-7-17-8-18-11/h1-4,7-8,12H,5-6,16H2,(H,17,18)/t12-/m0/s1
InChIKeyTWOXHYFNEFJVRS-LBPRGKRZSA-N
MW287.30 g/mol
LogP1.77
Rot. Bonds5

About (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 104894582) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID104894582
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H14FN5O/c15-10-3-1-2-9(4-10)5-13-19-14(21-20-13)12(16)6-11-7-17-8-18-11/h1-4,7-8,12H,5-6,16H2,(H,17,18)/t12-/m0/s1
InChIKeyTWOXHYFNEFJVRS-LBPRGKRZSA-N
XLogP1.77
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 61219332
2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79954868
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288886
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147
4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810172
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038509
(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038512

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 104894582) is (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is N[C@@H](Cc1cnc[nH]1)c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is TWOXHYFNEFJVRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14FN5O/c15-10-3-1-2-9(4-10)5-13-19-14(21-20-13)12(16)6-11-7-17-8-18-11/h1-4,7-8,12H,5-6,16H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 287.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 104894582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).