N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline

C15H20N4O — CID 120862662

IUPACN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H20N4O/c1-11-5-2-3-6-12(11)17-10-7-13-18-14(19-20-13)15(16)8-4-9-15/h2-3,5-6,17H,4,7-10,16H2,1H3
InChIKeyOQRHXZRQIMXPAP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds5

About N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline

N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline (PubChem CID 120862662) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
PubChem CID120862662
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H20N4O/c1-11-5-2-3-6-12(11)17-10-7-13-18-14(19-20-13)15(16)8-4-9-15/h2-3,5-6,17H,4,7-10,16H2,1H3
InChIKeyOQRHXZRQIMXPAP-UHFFFAOYSA-N
XLogP2.37
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 64981815
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 120852961
2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827059
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
CID 120858607
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 63719237
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65130527
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 120862484
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]naphthalene-2-sulfonamide;hydrochloride
CID 120852847

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline?
The IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline (CID 120862662) is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline?
The canonical SMILES for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline is Cc1ccccc1NCCc1nc(C2(N)CCC2)no1.
What is the InChIKey of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline?
The InChIKey is OQRHXZRQIMXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-5-2-3-6-12(11)17-10-7-13-18-14(19-20-13)15(16)8-4-9-15/h2-3,5-6,17H,4,7-10,16H2,1H3.
What are the key properties of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline?
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline has a molecular weight of 272.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline is sourced from PubChem (CID 120862662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).