3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

C15H15N5O3 — CID 134398215

IUPAC3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESC=CCON1C(=O)N2CC(n3ccc(-c4ncco4)n3)=CC1C2
InChIInChI=1S/C15H15N5O3/c1-2-6-23-20-12-8-11(9-18(10-12)15(20)21)19-5-3-13(17-19)14-16-4-7-22-14/h2-5,7-8,12H,1,6,9-10H2
InChIKeyHYLBFCQFSVVXIT-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.62
Rot. Bonds5

About 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 134398215) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
PubChem CID134398215
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESC=CCON1C(=O)N2CC(n3ccc(-c4ncco4)n3)=CC1C2
InChIInChI=1S/C15H15N5O3/c1-2-6-23-20-12-8-11(9-18(10-12)15(20)21)19-5-3-13(17-19)14-16-4-7-22-14/h2-5,7-8,12H,1,6,9-10H2
InChIKeyHYLBFCQFSVVXIT-UHFFFAOYSA-N
XLogP1.62
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one 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 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (CID 134398215) is 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is C=CCON1C(=O)N2CC(n3ccc(-c4ncco4)n3)=CC1C2.
What is the InChIKey of 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is HYLBFCQFSVVXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-2-6-23-20-12-8-11(9-18(10-12)15(20)21)19-5-3-13(17-19)14-16-4-7-22-14/h2-5,7-8,12H,1,6,9-10H2.
What are the key properties of 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 313.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 134398215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).