2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C15H22N4O — CID 83208053

IUPAC2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCC(C)c1noc(Cn2cc3c(c2)C(N)CCCC3)n1
InChIInChI=1S/C15H22N4O/c1-10(2)15-17-14(20-18-15)9-19-7-11-5-3-4-6-13(16)12(11)8-19/h7-8,10,13H,3-6,9,16H2,1-2H3
InChIKeyIRKUOCAUBQZUJZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.77
Rot. Bonds3

About 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208053) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208053
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCC(C)c1noc(Cn2cc3c(c2)C(N)CCCC3)n1
InChIInChI=1S/C15H22N4O/c1-10(2)15-17-14(20-18-15)9-19-7-11-5-3-4-6-13(16)12(11)8-19/h7-8,10,13H,3-6,9,16H2,1-2H3
InChIKeyIRKUOCAUBQZUJZ-UHFFFAOYSA-N
XLogP2.77
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-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 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208053) is 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CC(C)c1noc(Cn2cc3c(c2)C(N)CCCC3)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is IRKUOCAUBQZUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)15-17-14(20-18-15)9-19-7-11-5-3-4-6-13(16)12(11)8-19/h7-8,10,13H,3-6,9,16H2,1-2H3.
What are the key properties of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).