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

C15H21N3O2 — CID 61495262

IUPACN-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCCc1noc(COc2ccccc2CNCC)n1
InChIInChI=1S/C15H21N3O2/c1-3-7-14-17-15(20-18-14)11-19-13-9-6-5-8-12(13)10-16-4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3
InChIKeyRSDWJFUOIMICGP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.71
Rot. Bonds8

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

N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 61495262) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID61495262
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCCc1noc(COc2ccccc2CNCC)n1
InChIInChI=1S/C15H21N3O2/c1-3-7-14-17-15(20-18-14)11-19-13-9-6-5-8-12(13)10-16-4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3
InChIKeyRSDWJFUOIMICGP-UHFFFAOYSA-N
XLogP2.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63058170
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63322960
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181
[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495108
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 61495262) is N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCCc1noc(COc2ccccc2CNCC)n1.
What is the InChIKey of N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is RSDWJFUOIMICGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-7-14-17-15(20-18-14)11-19-13-9-6-5-8-12(13)10-16-4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 61495262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).