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

C15H21N3O — CID 110653325

IUPACN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C15H21N3O/c1-2-3-7-10-16-12-15-18-17-14(19-15)11-13-8-5-4-6-9-13/h4-6,8-9,16H,2-3,7,10-12H2,1H3
InChIKeyQECUXIVENFWNKC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds8

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

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine (PubChem CID 110653325) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
PubChem CID110653325
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C15H21N3O/c1-2-3-7-10-16-12-15-18-17-14(19-15)11-13-8-5-4-6-9-13/h4-6,8-9,16H,2-3,7,10-12H2,1H3
InChIKeyQECUXIVENFWNKC-UHFFFAOYSA-N
XLogP2.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
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-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
N-[[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62505322
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
N-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139413
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-[(5-benzyl-2H-triazol-4-yl)methyl]heptan-1-amine
CID 141106193
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 55039546
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
3-butoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 115571404
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
azane;N-benzylbutan-1-amine
CID 175388745

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine (CID 110653325) is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine is CCCCCNCc1nnc(Cc2ccccc2)o1.
What is the InChIKey of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
The InChIKey is QECUXIVENFWNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-7-10-16-12-15-18-17-14(19-15)11-13-8-5-4-6-9-13/h4-6,8-9,16H,2-3,7,10-12H2,1H3.
What are the key properties of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 110653325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).