1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C19H19ClFN3O2 — CID 120860111

IUPAC1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ccccc3OCc3ccc(F)cc3)n2)CCC1
InChIInChI=1S/C19H18FN3O2.ClH/c20-14-8-6-13(7-9-14)12-24-16-5-2-1-4-15(16)17-22-18(23-25-17)19(21)10-3-11-19;/h1-2,4-9H,3,10-12,21H2;1H
InChIKeyVCEAQLSXXIGFIL-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.21
Rot. Bonds5

About 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860111) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860111
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ccccc3OCc3ccc(F)cc3)n2)CCC1
InChIInChI=1S/C19H18FN3O2.ClH/c20-14-8-6-13(7-9-14)12-24-16-5-2-1-4-15(16)17-22-18(23-25-17)19(21)10-3-11-19;/h1-2,4-9H,3,10-12,21H2;1H
InChIKeyVCEAQLSXXIGFIL-UHFFFAOYSA-N
XLogP4.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860112
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
1-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858577
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860186
1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853362
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852042
1-[5-[2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851520
2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120851079
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859978
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714
1-[5-[4-(4-fluorophenyl)-1H-pyrrol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096074

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860111) is 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3ccccc3OCc3ccc(F)cc3)n2)CCC1.
What is the InChIKey of 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is VCEAQLSXXIGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2.ClH/c20-14-8-6-13(7-9-14)12-24-16-5-2-1-4-15(16)17-22-18(23-25-17)19(21)10-3-11-19;/h1-2,4-9H,3,10-12,21H2;1H.
What are the key properties of 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 375.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).