3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C12H23N3O2 — CID 103022428

IUPAC3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(C(C)(C)OC)o1
InChIInChI=1S/C12H23N3O2/c1-5-8-13-9-6-7-10-14-15-11(17-10)12(2,3)16-4/h13H,5-9H2,1-4H3
InChIKeyHCWPKRSYCCXRBR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds8

About 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 103022428) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID103022428
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(C(C)(C)OC)o1
InChIInChI=1S/C12H23N3O2/c1-5-8-13-9-6-7-10-14-15-11(17-10)12(2,3)16-4/h13H,5-9H2,1-4H3
InChIKeyHCWPKRSYCCXRBR-UHFFFAOYSA-N
XLogP1.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
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

3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62589702
N-ethyl-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104632933
3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138165
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 103022424
N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103022416
N-propyl-3-(5-pyridazin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 104672330
3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 82800202
N-propyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215590
3-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107183207

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 103022428) is 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1nnc(C(C)(C)OC)o1.
What is the InChIKey of 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is HCWPKRSYCCXRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-8-13-9-6-7-10-14-15-11(17-10)12(2,3)16-4/h13H,5-9H2,1-4H3.
What are the key properties of 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 103022428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).