3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

C19H21N3O — CID 110653706

IUPAC3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESc1ccc(CCCNCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H21N3O/c1-3-8-16(9-4-1)10-7-14-20-15-13-18-21-22-19(23-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,20H,7,10,13-15H2
InChIKeyAIYDIJMDZIUSHE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.50
Rot. Bonds8

About 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (PubChem CID 110653706) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
PubChem CID110653706
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESc1ccc(CCCNCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H21N3O/c1-3-8-16(9-4-1)10-7-14-20-15-13-18-21-22-19(23-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,20H,7,10,13-15H2
InChIKeyAIYDIJMDZIUSHE-UHFFFAOYSA-N
XLogP3.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
CID 110653635
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138167
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (CID 110653706) is 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is c1ccc(CCCNCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is AIYDIJMDZIUSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-8-16(9-4-1)10-7-14-20-15-13-18-21-22-19(23-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,20H,7,10,13-15H2.
What are the key properties of 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 110653706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).