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

C16H21N3O2 — CID 63327138

IUPACN-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine
SMILESCCc1nc(COc2ccc(C)cc2CNC2CC2)no1
InChIInChI=1S/C16H21N3O2/c1-3-16-18-15(19-21-16)10-20-14-7-4-11(2)8-12(14)9-17-13-5-6-13/h4,7-8,13,17H,3,5-6,9-10H2,1-2H3
InChIKeyOOGYUDIYJGYJQP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.77
Rot. Bonds7

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

N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine (PubChem CID 63327138) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine
PubChem CID63327138
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine
SMILESCCc1nc(COc2ccc(C)cc2CNC2CC2)no1
InChIInChI=1S/C16H21N3O2/c1-3-16-18-15(19-21-16)10-20-14-7-4-11(2)8-12(14)9-17-13-5-6-13/h4,7-8,13,17H,3,5-6,9-10H2,1-2H3
InChIKeyOOGYUDIYJGYJQP-UHFFFAOYSA-N
XLogP2.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine (CID 63327138) is N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine is CCc1nc(COc2ccc(C)cc2CNC2CC2)no1.
What is the InChIKey of N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine?
The InChIKey is OOGYUDIYJGYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-16-18-15(19-21-16)10-20-14-7-4-11(2)8-12(14)9-17-13-5-6-13/h4,7-8,13,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine?
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine has a molecular weight of 287.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63327138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).