N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C17H25N3O — CID 8590

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IUPACN,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCC(c1ccccc1)c1noc(CCN(CC)CC)n1
InChIInChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeyOLTAWOVKGWWERU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.50
Rot. Bonds8

About N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine

N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 8590) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID8590
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCC(c1ccccc1)c1noc(CCN(CC)CC)n1
InChIInChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeyOLTAWOVKGWWERU-UHFFFAOYSA-N
XLogP3.50
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxolamine
CID 13738
Prenoxdiazine
CID 120508
N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methoxy-N-methylethanamine
CID 23724001
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-benzyl-1,2,4-oxadiazole
CID 9903517
3-[(4-Chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 11109533
Libexin
CID 120507
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
1-(Cyclopropylmethyl)-4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16189935
3-(Cyclopropylmethyl)-5-{[3-(2-fluorophenyl)-1-pyrrolidinyl]methyl}-1,2,4-oxadiazole
CID 16190872
N,2-dimethyl-3-(1-pyrrolidinyl)-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1-propanamine
CID 16192087
N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(2-methoxyethyl)-2-propanamine
CID 23723585
N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
CID 54770715

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 8590) is N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCC(c1ccccc1)c1noc(CCN(CC)CC)n1.
What is the InChIKey of N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is OLTAWOVKGWWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 8590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).