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

C15H22ClN3OS — CID 120858819

IUPAC1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCCc1sc(-c2nc(C3(N)CCC3)no2)cc1CC.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-3-6-11-10(4-2)9-12(20-11)13-17-14(18-19-13)15(16)7-5-8-15;/h9H,3-8,16H2,1-2H3;1H
InChIKeySKWQTRVVIFWPKX-UHFFFAOYSA-N
MW327.88 g/mol
LogP4.07
Rot. Bonds5

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

1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120858819) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120858819
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCCc1sc(-c2nc(C3(N)CCC3)no2)cc1CC.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-3-6-11-10(4-2)9-12(20-11)13-17-14(18-19-13)15(16)7-5-8-15;/h9H,3-8,16H2,1-2H3;1H
InChIKeySKWQTRVVIFWPKX-UHFFFAOYSA-N
XLogP4.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850910
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 80538961
1-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854311
1-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854310
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855729
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61406799
1-[5-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864790
1-[5-(5-methyl-4-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855214
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864613
1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861529

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120858819) is 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CCCc1sc(-c2nc(C3(N)CCC3)no2)cc1CC.Cl.
What is the InChIKey of 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is SKWQTRVVIFWPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.ClH/c1-3-6-11-10(4-2)9-12(20-11)13-17-14(18-19-13)15(16)7-5-8-15;/h9H,3-8,16H2,1-2H3;1H.
What are the key properties of 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120858819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).