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

C17H22ClFN4O2 — CID 120863889

IUPAC1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C(c3cccc(F)c3)N3CCOCC3)n2)CCC1
InChIInChI=1S/C17H21FN4O2.ClH/c18-13-4-1-3-12(11-13)14(22-7-9-23-10-8-22)15-20-16(21-24-15)17(19)5-2-6-17;/h1,3-4,11,14H,2,5-10,19H2;1H
InChIKeyOVSROSCIMRQYHL-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.39
Rot. Bonds4

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

1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863889) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863889
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC Name1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C(c3cccc(F)c3)N3CCOCC3)n2)CCC1
InChIInChI=1S/C17H21FN4O2.ClH/c18-13-4-1-3-12(11-13)14(22-7-9-23-10-8-22)15-20-16(21-24-15)17(19)5-2-6-17;/h1,3-4,11,14H,2,5-10,19H2;1H
InChIKeyOVSROSCIMRQYHL-UHFFFAOYSA-N
XLogP2.39
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-[1-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850813
1-[5-[1-(3-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854157
1-[5-[2-(3-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856429
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
1-[5-[(2-chloro-4-fluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864599
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851660
4-[(R)-(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine
CID 1435614
1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859136
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
1-[5-[dimethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855328
2-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 71912984

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120863889) is 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C(c3cccc(F)c3)N3CCOCC3)n2)CCC1.
What is the InChIKey of 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is OVSROSCIMRQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2.ClH/c18-13-4-1-3-12(11-13)14(22-7-9-23-10-8-22)15-20-16(21-24-15)17(19)5-2-6-17;/h1,3-4,11,14H,2,5-10,19H2;1H.
What are the key properties of 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).