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

C13H19ClN4O2 — CID 120860215

IUPAC1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1noc(C(C)C)c1-c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-7(2)10-9(8(3)16-18-10)11-15-12(17-19-11)13(14)5-4-6-13;/h7H,4-6,14H2,1-3H3;1H
InChIKeyRALRLTVFYYQGKI-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.92
Rot. Bonds3

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

1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860215) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860215
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1noc(C(C)C)c1-c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-7(2)10-9(8(3)16-18-10)11-15-12(17-19-11)13(14)5-4-6-13;/h7H,4-6,14H2,1-3H3;1H
InChIKeyRALRLTVFYYQGKI-UHFFFAOYSA-N
XLogP2.92
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863974
1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854491
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864500
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
CID 137031594
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853560
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861396
1-[5-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861370
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860215) is 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1noc(C(C)C)c1-c1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is RALRLTVFYYQGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-7(2)10-9(8(3)16-18-10)11-15-12(17-19-11)13(14)5-4-6-13;/h7H,4-6,14H2,1-3H3;1H.
What are the key properties of 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).