3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine

C15H19N3O — CID 106396532

IUPAC3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCc3ncon3)C2)c1
InChIInChI=1S/C15H19N3O/c1-11-3-2-4-12(7-11)13-8-14(9-13)16-6-5-15-17-10-19-18-15/h2-4,7,10,13-14,16H,5-6,8-9H2,1H3
InChIKeyQPSAAJAQIREXTN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds5

About 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine

3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 106396532) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID106396532
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCc3ncon3)C2)c1
InChIInChI=1S/C15H19N3O/c1-11-3-2-4-12(7-11)13-8-14(9-13)16-6-5-15-17-10-19-18-15/h2-4,7,10,13-14,16H,5-6,8-9H2,1H3
InChIKeyQPSAAJAQIREXTN-UHFFFAOYSA-N
XLogP2.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396530
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106395110
N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 61211081
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106704291
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
CID 106396081
3-(3-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64518980
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine (CID 106396532) is 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine is Cc1cccc(C2CC(NCCc3ncon3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is QPSAAJAQIREXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-2-4-12(7-11)13-8-14(9-13)16-6-5-15-17-10-19-18-15/h2-4,7,10,13-14,16H,5-6,8-9H2,1H3.
What are the key properties of 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106396532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).