N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C15H21N3O2 — CID 71789301

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc2n(n1)CCCO2
InChIInChI=1S/C15H21N3O2/c19-15(16-8-7-12-5-2-1-3-6-12)13-11-14-18(17-13)9-4-10-20-14/h5,11H,1-4,6-10H2,(H,16,19)
InChIKeyMKVNEIYPKZHYLO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789301) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789301
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc2n(n1)CCCO2
InChIInChI=1S/C15H21N3O2/c19-15(16-8-7-12-5-2-1-3-6-12)13-11-14-18(17-13)9-4-10-20-14/h5,11H,1-4,6-10H2,(H,16,19)
InChIKeyMKVNEIYPKZHYLO-UHFFFAOYSA-N
XLogP2.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide 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-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789301) is N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NCCC1=CCCCC1)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is MKVNEIYPKZHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(16-8-7-12-5-2-1-3-6-12)13-11-14-18(17-13)9-4-10-20-14/h5,11H,1-4,6-10H2,(H,16,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).