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

C13H17ClN4O3 — CID 120860005

IUPAC1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ncoc3C3CCCO3)n2)CCC1
InChIInChI=1S/C13H16N4O3.ClH/c14-13(4-2-5-13)12-16-11(20-17-12)9-10(19-7-15-9)8-3-1-6-18-8;/h7-8H,1-6,14H2;1H
InChIKeyYNXSEJFFYXVJOO-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.34
Rot. Bonds3

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

1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860005) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860005
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC Name1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3ncoc3C3CCCO3)n2)CCC1
InChIInChI=1S/C13H16N4O3.ClH/c14-13(4-2-5-13)12-16-11(20-17-12)9-10(19-7-15-9)8-3-1-6-18-8;/h7-8H,1-6,14H2;1H
InChIKeyYNXSEJFFYXVJOO-UHFFFAOYSA-N
XLogP2.34
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861396
1-[5-(5-ethyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859912
1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853645
1-[5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851081
1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863161
1-[5-[3-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854977
1-[5-(4-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863830
3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 55048048
1-[5-(5-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860423
1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65159466
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864420
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 120852858

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860005) is 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3ncoc3C3CCCO3)n2)CCC1.
What is the InChIKey of 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is YNXSEJFFYXVJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3.ClH/c14-13(4-2-5-13)12-16-11(20-17-12)9-10(19-7-15-9)8-3-1-6-18-8;/h7-8H,1-6,14H2;1H.
What are the key properties of 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 312.76 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).