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

C13H15N3O2 — CID 120862536

IUPAC1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C13H15N3O2/c1-17-10-5-3-9(4-6-10)11-15-12(16-18-11)13(14)7-2-8-13/h3-6H,2,7-8,14H2,1H3
InChIKeyGNNCJVRQMQFUGT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.08
Rot. Bonds3

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

1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862536) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862536
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C13H15N3O2/c1-17-10-5-3-9(4-6-10)11-15-12(16-18-11)13(14)7-2-8-13/h3-6H,2,7-8,14H2,1H3
InChIKeyGNNCJVRQMQFUGT-UHFFFAOYSA-N
XLogP2.08
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853576
1-[5-(4-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863830
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351511
1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851362
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
1-[5-(5-methoxy-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863739
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859325

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862536) is 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is COc1ccc(-c2nc(C3(N)CCC3)no2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is GNNCJVRQMQFUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-10-5-3-9(4-6-10)11-15-12(16-18-11)13(14)7-2-8-13/h3-6H,2,7-8,14H2,1H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 245.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).