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

C13H23N3O2 — CID 79762476

IUPAC1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCOC2C)o1
InChIInChI=1S/C13H23N3O2/c1-4-7-14-11(5-2)13-16-15-12(18-13)10-6-8-17-9(10)3/h9-11,14H,4-8H2,1-3H3
InChIKeyJABUQHDUGUZTIY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.41
Rot. Bonds6

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

1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 79762476) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID79762476
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCOC2C)o1
InChIInChI=1S/C13H23N3O2/c1-4-7-14-11(5-2)13-16-15-12(18-13)10-6-8-17-9(10)3/h9-11,14H,4-8H2,1-3H3
InChIKeyJABUQHDUGUZTIY-UHFFFAOYSA-N
XLogP2.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62905353
2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 79759200
N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79763371
5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 79760347
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62859118
N-methyl-1-[5-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859270
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857634
N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378
methyl 5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619114
N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859100
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81327538

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 79762476) is 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(C2CCOC2C)o1.
What is the InChIKey of 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is JABUQHDUGUZTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-7-14-11(5-2)13-16-15-12(18-13)10-6-8-17-9(10)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 79762476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).