1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C13H15ClF2N4O2 — CID 120860849

IUPAC1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ncccc3OCC(F)F)n2)CCC1
InChIInChI=1S/C13H14F2N4O2.ClH/c14-9(15)7-20-8-3-1-6-17-10(8)11-18-12(19-21-11)13(16)4-2-5-13;/h1,3,6,9H,2,4-5,7,16H2;1H
InChIKeyYMPHYLVFODITFS-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.54
Rot. Bonds5

About 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860849) has the molecular formula C13H15ClF2N4O2 and a molecular weight of 332.74 g/mol. Its IUPAC name is 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860849
Molecular FormulaC13H15ClF2N4O2
Molecular Weight332.74 g/mol
Exact Mass332.09
IUPAC Name1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ncccc3OCC(F)F)n2)CCC1
InChIInChI=1S/C13H14F2N4O2.ClH/c14-9(15)7-20-8-3-1-6-17-10(8)11-18-12(19-21-11)13(16)4-2-5-13;/h1,3,6,9H,2,4-5,7,16H2;1H
InChIKeyYMPHYLVFODITFS-UHFFFAOYSA-N
XLogP2.54
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860111
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860112
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859978
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 120862469
1-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858577
1-[5-[2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851520
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851776
1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861396
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860186

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860849) is 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3ncccc3OCC(F)F)n2)CCC1.
What is the InChIKey of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is YMPHYLVFODITFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2.ClH/c14-9(15)7-20-8-3-1-6-17-10(8)11-18-12(19-21-11)13(16)4-2-5-13;/h1,3,6,9H,2,4-5,7,16H2;1H.
What are the key properties of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 332.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).