[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C15H18ClFN4O — CID 120751636

IUPAC[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(CN2CC3(CCC3)c3c(F)cccc32)no1
InChIInChI=1S/C15H17FN4O.ClH/c16-10-3-1-4-11-14(10)15(5-2-6-15)9-20(11)8-12-18-13(7-17)21-19-12;/h1,3-4H,2,5-9,17H2;1H
InChIKeyPYTGPEIOIMPWBM-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.53
Rot. Bonds3

About [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120751636) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120751636
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(CN2CC3(CCC3)c3c(F)cccc32)no1
InChIInChI=1S/C15H17FN4O.ClH/c16-10-3-1-4-11-14(10)15(5-2-6-15)9-20(11)8-12-18-13(7-17)21-19-12;/h1,3-4H,2,5-9,17H2;1H
InChIKeyPYTGPEIOIMPWBM-UHFFFAOYSA-N
XLogP2.53
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 47052984
1-(2,3-Dihydroindol-1-yl)-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 72149567
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 75442871
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 84598319
1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[indole-3,4'-piperidin]-2(1H)-one
CID 56897986
3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25392984
3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 94815585
(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
CID 95899827
(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide
CID 95900544
3-Butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
CID 126767613
2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 164633330
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-isocyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 57771256

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120751636) is [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(CN2CC3(CCC3)c3c(F)cccc32)no1.
What is the InChIKey of [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is PYTGPEIOIMPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.ClH/c16-10-3-1-4-11-14(10)15(5-2-6-15)9-20(11)8-12-18-13(7-17)21-19-12;/h1,3-4H,2,5-9,17H2;1H.
What are the key properties of [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 324.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120751636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).