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

C13H15N3O2 — CID 55065529

IUPACN-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1-c1nc(CNC2CC2)no1
InChIInChI=1S/C13H15N3O2/c1-17-11-5-3-2-4-10(11)13-15-12(16-18-13)8-14-9-6-7-9/h2-5,9,14H,6-8H2,1H3
InChIKeyMPAVPHPYQYOENA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds5

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

N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 55065529) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID55065529
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1-c1nc(CNC2CC2)no1
InChIInChI=1S/C13H15N3O2/c1-17-11-5-3-2-4-10(11)13-15-12(16-18-13)8-14-9-6-7-9/h2-5,9,14H,6-8H2,1H3
InChIKeyMPAVPHPYQYOENA-UHFFFAOYSA-N
XLogP2.00
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 55065529) is N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is COc1ccccc1-c1nc(CNC2CC2)no1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is MPAVPHPYQYOENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-11-5-3-2-4-10(11)13-15-12(16-18-13)8-14-9-6-7-9/h2-5,9,14H,6-8H2,1H3.
What are the key properties of N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 245.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55065529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).