1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H19N3O — CID 120862454

IUPAC1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccccc1C1(c2nc(C3(N)CCC3)no2)CC1
InChIInChI=1S/C16H19N3O/c1-11-5-2-3-6-12(11)15(9-10-15)14-18-13(19-20-14)16(17)7-4-8-16/h2-3,5-6H,4,7-10,17H2,1H3
InChIKeyABPOPWQODNSHRD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.80
Rot. Bonds3

About 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862454) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862454
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccccc1C1(c2nc(C3(N)CCC3)no2)CC1
InChIInChI=1S/C16H19N3O/c1-11-5-2-3-6-12(11)15(9-10-15)14-18-13(19-20-14)16(17)7-4-8-16/h2-3,5-6H,4,7-10,17H2,1H3
InChIKeyABPOPWQODNSHRD-UHFFFAOYSA-N
XLogP2.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862063
1-[5-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864711
1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855460
1-[5-[2-(2-methylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855344
1-[5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862219
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862203
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867807

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862454) is 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1ccccc1C1(c2nc(C3(N)CCC3)no2)CC1.
What is the InChIKey of 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is ABPOPWQODNSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-5-2-3-6-12(11)15(9-10-15)14-18-13(19-20-14)16(17)7-4-8-16/h2-3,5-6H,4,7-10,17H2,1H3.
What are the key properties of 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).