1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C15H17N3O2 — CID 120863570

IUPAC1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESC=CCOc1ccccc1-c1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H17N3O2/c1-2-10-19-12-7-4-3-6-11(12)13-17-14(18-20-13)15(16)8-5-9-15/h2-4,6-7H,1,5,8-10,16H2
InChIKeyWKXHCVAFWNHQPY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.64
Rot. Bonds5

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

1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120863570) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120863570
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESC=CCOc1ccccc1-c1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H17N3O2/c1-2-10-19-12-7-4-3-6-11(12)13-17-14(18-20-13)15(16)8-5-9-15/h2-4,6-7H,1,5,8-10,16H2
InChIKeyWKXHCVAFWNHQPY-UHFFFAOYSA-N
XLogP2.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860111
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860112
1-[5-[2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851520
1-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858577
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860186
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853362
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852042
1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851362
2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120851079
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120863570) is 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is C=CCOc1ccccc1-c1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is WKXHCVAFWNHQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-10-19-12-7-4-3-6-11(12)13-17-14(18-20-13)15(16)8-5-9-15/h2-4,6-7H,1,5,8-10,16H2.
What are the key properties of 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120863570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).