N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C14H22N4O2 — CID 66213461

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2C(N)C3CCCOC32)n1
InChIInChI=1S/C14H22N4O2/c1-8-6-9(2)18(17-8)7-11(19)16-13-12(15)10-4-3-5-20-14(10)13/h6,10,12-14H,3-5,7,15H2,1-2H3,(H,16,19)
InChIKeyPINIHWTYKAEPHG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.12
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 66213461) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID66213461
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2C(N)C3CCCOC32)n1
InChIInChI=1S/C14H22N4O2/c1-8-6-9(2)18(17-8)7-11(19)16-13-12(15)10-4-3-5-20-14(10)13/h6,10,12-14H,3-5,7,15H2,1-2H3,(H,16,19)
InChIKeyPINIHWTYKAEPHG-UHFFFAOYSA-N
XLogP0.12
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide 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 N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 66213461) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC2C(N)C3CCCOC32)n1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is PINIHWTYKAEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-6-9(2)18(17-8)7-11(19)16-13-12(15)10-4-3-5-20-14(10)13/h6,10,12-14H,3-5,7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 66213461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).