2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

C14H19N3O2 — CID 106814604

IUPAC2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCCOCCc1noc(-c2ccc(CCN)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-2-18-10-8-13-16-14(19-17-13)12-5-3-11(4-6-12)7-9-15/h3-6H,2,7-10,15H2,1H3
InChIKeyOMQKMIJIBXBOFF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds7

About 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 106814604) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID106814604
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCCOCCc1noc(-c2ccc(CCN)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-2-18-10-8-13-16-14(19-17-13)12-5-3-11(4-6-12)7-9-15/h3-6H,2,7-10,15H2,1H3
InChIKeyOMQKMIJIBXBOFF-UHFFFAOYSA-N
XLogP1.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 61392809
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795654
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116703234
2-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007703
2-[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 62500649
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]guanidine
CID 110935522
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,5-difluoroaniline
CID 106814697

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 106814604) is 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is CCOCCc1noc(-c2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is OMQKMIJIBXBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-18-10-8-13-16-14(19-17-13)12-5-3-11(4-6-12)7-9-15/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 106814604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).