N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine

C14H19N3O2 — CID 62162382

IUPACN-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(Cc2ccccc2OC)o1
InChIInChI=1S/C14H19N3O2/c1-3-15-9-8-13-16-17-14(19-13)10-11-6-4-5-7-12(11)18-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyXGHXVZBKZYZORL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds7

About N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62162382) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62162382
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(Cc2ccccc2OC)o1
InChIInChI=1S/C14H19N3O2/c1-3-15-9-8-13-16-17-14(19-13)10-11-6-4-5-7-12(11)18-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyXGHXVZBKZYZORL-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 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

N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138293
N-ethyl-2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162910
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62139060
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
2-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163085
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 62162382) is N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine is CCNCCc1nnc(Cc2ccccc2OC)o1.
What is the InChIKey of N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is XGHXVZBKZYZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-9-8-13-16-17-14(19-13)10-11-6-4-5-7-12(11)18-2/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]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 N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62162382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).