1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H17N5O3 — CID 120860186

IUPAC1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nc(COc2ccccc2-c2nc(C3(N)CCC3)no2)no1
InChIInChI=1S/C16H17N5O3/c1-10-18-13(20-23-10)9-22-12-6-3-2-5-11(12)14-19-15(21-24-14)16(17)7-4-8-16/h2-3,5-6H,4,7-9,17H2,1H3
InChIKeyBVHYZKOGQMJEPF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.34
Rot. Bonds5

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

1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120860186) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120860186
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nc(COc2ccccc2-c2nc(C3(N)CCC3)no2)no1
InChIInChI=1S/C16H17N5O3/c1-10-18-13(20-23-10)9-22-12-6-3-2-5-11(12)14-19-15(21-24-14)16(17)7-4-8-16/h2-3,5-6H,4,7-9,17H2,1H3
InChIKeyBVHYZKOGQMJEPF-UHFFFAOYSA-N
XLogP2.34
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853362
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-[(2-chlorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858577
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
1-[5-[2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851520
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120851079
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120860186) is 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1nc(COc2ccccc2-c2nc(C3(N)CCC3)no2)no1.
What is the InChIKey of 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is BVHYZKOGQMJEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-18-13(20-23-10)9-22-12-6-3-2-5-11(12)14-19-15(21-24-14)16(17)7-4-8-16/h2-3,5-6H,4,7-9,17H2,1H3.
What are the key properties of 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 327.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120860186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).