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

C14H19N3O2 — CID 114783024

IUPACN-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
SMILESCc1nnc(COCCCNCc2ccccc2)o1
InChIInChI=1S/C14H19N3O2/c1-12-16-17-14(19-12)11-18-9-5-8-15-10-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-11H2,1H3
InChIKeyJOAUJXMJEXKRAL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.07
Rot. Bonds8

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

N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine (PubChem CID 114783024) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
PubChem CID114783024
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
SMILESCc1nnc(COCCCNCc2ccccc2)o1
InChIInChI=1S/C14H19N3O2/c1-12-16-17-14(19-12)11-18-9-5-8-15-10-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-11H2,1H3
InChIKeyJOAUJXMJEXKRAL-UHFFFAOYSA-N
XLogP2.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
CID 114782979
N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
CID 114782959
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine
CID 114783006
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(2-methylsulfonylethoxy)propan-1-amine
CID 114782832
3-butoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 115571404
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine (CID 114783024) is N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine is Cc1nnc(COCCCNCc2ccccc2)o1.
What is the InChIKey of N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
The InChIKey is JOAUJXMJEXKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-12-16-17-14(19-12)11-18-9-5-8-15-10-13-6-3-2-4-7-13/h2-4,6-7,15H,5,8-11H2,1H3.
What are the key properties of N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine is sourced from PubChem (CID 114783024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).