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

C17H25N3O — CID 103931641

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCCc1noc(C)n1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-4-6-11-16(15-9-7-5-8-10-15)18-13-12-17-19-14(2)21-20-17/h5,7-10,16,18H,3-4,6,11-13H2,1-2H3
InChIKeyFVBIPKYRVCAMQB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.83
Rot. Bonds9

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine (PubChem CID 103931641) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine
PubChem CID103931641
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCCc1noc(C)n1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-4-6-11-16(15-9-7-5-8-10-15)18-13-12-17-19-14(2)21-20-17/h5,7-10,16,18H,3-4,6,11-13H2,1-2H3
InChIKeyFVBIPKYRVCAMQB-UHFFFAOYSA-N
XLogP3.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.83
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

N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 103931604
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine (CID 103931641) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine is CCCCCC(NCCc1noc(C)n1)c1ccccc1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine?
The InChIKey is FVBIPKYRVCAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-4-6-11-16(15-9-7-5-8-10-15)18-13-12-17-19-14(2)21-20-17/h5,7-10,16,18H,3-4,6,11-13H2,1-2H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylhexan-1-amine is sourced from PubChem (CID 103931641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).