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

C10H11Cl2N5O — CID 120863161

IUPAC1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ncncc3Cl)n2)CCC1
InChIInChI=1S/C10H10ClN5O.ClH/c11-6-4-13-5-14-7(6)8-15-9(16-17-8)10(12)2-1-3-10;/h4-5H,1-3,12H2;1H
InChIKeyHZHDCZQZYFMKRJ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.94
Rot. Bonds2

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

1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863161) has the molecular formula C10H11Cl2N5O and a molecular weight of 288.14 g/mol. Its IUPAC name is 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863161
Molecular FormulaC10H11Cl2N5O
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ncncc3Cl)n2)CCC1
InChIInChI=1S/C10H10ClN5O.ClH/c11-6-4-13-5-14-7(6)8-15-9(16-17-8)10(12)2-1-3-10;/h4-5H,1-3,12H2;1H
InChIKeyHZHDCZQZYFMKRJ-UHFFFAOYSA-N
XLogP1.94
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861396
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-(5-ethyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859912
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104786423
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859270
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine
CID 130545305

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120863161) is 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3ncncc3Cl)n2)CCC1.
What is the InChIKey of 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is HZHDCZQZYFMKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O.ClH/c11-6-4-13-5-14-7(6)8-15-9(16-17-8)10(12)2-1-3-10;/h4-5H,1-3,12H2;1H.
What are the key properties of 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 288.14 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).