N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine

C15H21N3O2 — CID 61495515

IUPACN-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2ccccc2C(C)NC)no1
InChIInChI=1S/C15H21N3O2/c1-4-7-15-17-14(18-20-15)10-19-13-9-6-5-8-12(13)11(2)16-3/h5-6,8-9,11,16H,4,7,10H2,1-3H3
InChIKeyWJMSZVRSWAFOSQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.88
Rot. Bonds7

About N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine

N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 61495515) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID61495515
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2ccccc2C(C)NC)no1
InChIInChI=1S/C15H21N3O2/c1-4-7-15-17-14(18-20-15)10-19-13-9-6-5-8-12(13)11(2)16-3/h5-6,8-9,11,16H,4,7,10H2,1-3H3
InChIKeyWJMSZVRSWAFOSQ-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (CID 61495515) is N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is CCCc1nc(COc2ccccc2C(C)NC)no1.
What is the InChIKey of N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is WJMSZVRSWAFOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-15-17-14(18-20-15)10-19-13-9-6-5-8-12(13)11(2)16-3/h5-6,8-9,11,16H,4,7,10H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 61495515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).