1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride

C10H11ClFN3O — CID 71692413

IUPAC1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nnc(-c2cccc(F)c2)o1.Cl
InChIInChI=1S/C10H10FN3O.ClH/c1-6(12)9-13-14-10(15-9)7-3-2-4-8(11)5-7;/h2-6H,12H2,1H3;1H
InChIKeyPZYSXSUWLFPLHU-UHFFFAOYSA-N
MW243.67 g/mol
LogP2.32
Rot. Bonds2

About 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride

1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 71692413) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
PubChem CID71692413
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nnc(-c2cccc(F)c2)o1.Cl
InChIInChI=1S/C10H10FN3O.ClH/c1-6(12)9-13-14-10(15-9)7-3-2-4-8(11)5-7;/h2-6H,12H2,1H3;1H
InChIKeyPZYSXSUWLFPLHU-UHFFFAOYSA-N
XLogP2.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
2-butan-2-yl-5-[4-(3-fluorophenyl)phenyl]-1,3,4-oxadiazole
CID 71088442
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 43245573
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
3-(3-fluorophenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 8954429
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035052
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
4-chloro-N-[(R)-(4-chlorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 41142900
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (CID 71692413) is 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is CC(N)c1nnc(-c2cccc(F)c2)o1.Cl.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is PZYSXSUWLFPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O.ClH/c1-6(12)9-13-14-10(15-9)7-3-2-4-8(11)5-7;/h2-6H,12H2,1H3;1H.
What are the key properties of 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 243.67 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 71692413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).