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

C13H15N3O — CID 110653635

IUPACN-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H15N3O/c1-2-9-14-10-8-12-15-16-13(17-12)11-6-4-3-5-7-11/h2-7,14H,1,8-10H2
InChIKeySMQKQPKPJNULMM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.05
Rot. Bonds6

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

N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 110653635) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
PubChem CID110653635
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H15N3O/c1-2-9-14-10-8-12-15-16-13(17-12)11-6-4-3-5-7-11/h2-7,14H,1,8-10H2
InChIKeySMQKQPKPJNULMM-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 110653706
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110652403
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 60647502
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine (CID 110653635) is N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine is C=CCNCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is SMQKQPKPJNULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-9-14-10-8-12-15-16-13(17-12)11-6-4-3-5-7-11/h2-7,14H,1,8-10H2.
What are the key properties of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine?
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 229.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 110653635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).