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

C15H19N3O2 — CID 61495910

IUPACN-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-16-9-11-3-7-13(8-4-11)19-10-14-17-15(18-20-14)12-5-6-12/h3-4,7-8,12,16H,2,5-6,9-10H2,1H3
InChIKeyQJYYHTTWLSQXEQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.64
Rot. Bonds7

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

N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 61495910) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID61495910
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-16-9-11-3-7-13(8-4-11)19-10-14-17-15(18-20-14)12-5-6-12/h3-4,7-8,12,16H,2,5-6,9-10H2,1H3
InChIKeyQJYYHTTWLSQXEQ-UHFFFAOYSA-N
XLogP2.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61495920
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
CID 75372440
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
CID 62336678
5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794330
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 61495910) is N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2nc(C3CC3)no2)cc1.
What is the InChIKey of N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is QJYYHTTWLSQXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-16-9-11-3-7-13(8-4-11)19-10-14-17-15(18-20-14)12-5-6-12/h3-4,7-8,12,16H,2,5-6,9-10H2,1H3.
What are the key properties of N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 61495910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).