1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine

C20H29N3O — CID 55629821

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1(c2ccccc2)CCCC1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C20H29N3O/c1-15(17-22-18(23-24-17)19(2,3)4)21-14-20(12-8-9-13-20)16-10-6-5-7-11-16/h5-7,10-11,15,21H,8-9,12-14H2,1-4H3
InChIKeySLVUTKOKPMYMBI-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine (PubChem CID 55629821) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine
PubChem CID55629821
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1(c2ccccc2)CCCC1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C20H29N3O/c1-15(17-22-18(23-24-17)19(2,3)4)21-14-20(12-8-9-13-20)16-10-6-5-7-11-16/h5-7,10-11,15,21H,8-9,12-14H2,1-4H3
InChIKeySLVUTKOKPMYMBI-UHFFFAOYSA-N
XLogP4.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine 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 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine (CID 55629821) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine is CC(NCC1(c2ccccc2)CCCC1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The InChIKey is SLVUTKOKPMYMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-15(17-22-18(23-24-17)19(2,3)4)21-14-20(12-8-9-13-20)16-10-6-5-7-11-16/h5-7,10-11,15,21H,8-9,12-14H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine has a molecular weight of 327.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 55629821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).