5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine

C15H22N4O — CID 106969532

IUPAC5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCCc2ccccc2)o1
InChIInChI=1S/C15H22N4O/c1-3-16-12(2)14-18-19-15(20-14)17-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3,(H,17,19)
InChIKeyAZDNASHFWXJECH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.78
Rot. Bonds8

About 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine

5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969532) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969532
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCCc2ccccc2)o1
InChIInChI=1S/C15H22N4O/c1-3-16-12(2)14-18-19-15(20-14)17-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3,(H,17,19)
InChIKeyAZDNASHFWXJECH-UHFFFAOYSA-N
XLogP2.78
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(ethylamino)ethyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966363
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961036
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
N-ethyl-5-[1-(ethylamino)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967971
N-(1-phenylpropyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960360
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106959383
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960479

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine (CID 106969532) is 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCCCc2ccccc2)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AZDNASHFWXJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-16-12(2)14-18-19-15(20-14)17-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).