5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine

C16H17N3O2 — CID 101129474

IUPAC5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCNc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H17N3O2/c1-2-10-17-16-19-18-15(21-16)11-20-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyCGVLBAKSCPDDLX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.62
Rot. Bonds6

About 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine

5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 101129474) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine
PubChem CID101129474
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCNc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H17N3O2/c1-2-10-17-16-19-18-15(21-16)11-20-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyCGVLBAKSCPDDLX-UHFFFAOYSA-N
XLogP3.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine (CID 101129474) is 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine is CCCNc1nnc(COc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CGVLBAKSCPDDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-10-17-16-19-18-15(21-16)11-20-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine?
5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 283.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 101129474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).