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

C16H21N3O3 — CID 134007205

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CN(Cc2nc(C)no2)C2CC2)c1
InChIInChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)10-19(13-4-5-13)9-12-8-14(20-2)6-7-15(12)21-3/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyFZJRXPKYVOWOPI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.56
Rot. Bonds7

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

N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 134007205) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
PubChem CID134007205
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CN(Cc2nc(C)no2)C2CC2)c1
InChIInChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)10-19(13-4-5-13)9-12-8-14(20-2)6-7-15(12)21-3/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyFZJRXPKYVOWOPI-UHFFFAOYSA-N
XLogP2.56
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (CID 134007205) is N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is COc1ccc(OC)c(CN(Cc2nc(C)no2)C2CC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is FZJRXPKYVOWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)10-19(13-4-5-13)9-12-8-14(20-2)6-7-15(12)21-3/h6-8,13H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 303.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 134007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).