N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C14H17N3O2 — CID 62341594

IUPACN-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCOc1cc(-c2nc(CNC3CC3)no2)ccc1C
InChIInChI=1S/C14H17N3O2/c1-9-3-4-10(7-12(9)18-2)14-16-13(17-19-14)8-15-11-5-6-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyOAUSHRJUWRIMNJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds5

About N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 62341594) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID62341594
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCOc1cc(-c2nc(CNC3CC3)no2)ccc1C
InChIInChI=1S/C14H17N3O2/c1-9-3-4-10(7-12(9)18-2)14-16-13(17-19-14)8-15-11-5-6-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyOAUSHRJUWRIMNJ-UHFFFAOYSA-N
XLogP2.31
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343759
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
2-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336066
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
N-[[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341400
3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 112572035
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 114026356
N-[[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065577

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 62341594) is N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is COc1cc(-c2nc(CNC3CC3)no2)ccc1C.
What is the InChIKey of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is OAUSHRJUWRIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-4-10(7-12(9)18-2)14-16-13(17-19-14)8-15-11-5-6-11/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 259.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).