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

C15H21N5O2 — CID 91959426

IUPAC3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1c(C(=O)NCCCn2ccnc2C)nn2c1OCCC2
InChIInChI=1S/C15H21N5O2/c1-11-13(18-20-8-4-10-22-15(11)20)14(21)17-5-3-7-19-9-6-16-12(19)2/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,21)
InChIKeyGFBBQGYDSHWVBP-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.30
Rot. Bonds5

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

3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959426) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959426
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1c(C(=O)NCCCn2ccnc2C)nn2c1OCCC2
InChIInChI=1S/C15H21N5O2/c1-11-13(18-20-8-4-10-22-15(11)20)14(21)17-5-3-7-19-9-6-16-12(19)2/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,21)
InChIKeyGFBBQGYDSHWVBP-UHFFFAOYSA-N
XLogP1.30
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-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 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959426) is 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1c(C(=O)NCCCn2ccnc2C)nn2c1OCCC2.
What is the InChIKey of 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is GFBBQGYDSHWVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-13(18-20-8-4-10-22-15(11)20)14(21)17-5-3-7-19-9-6-16-12(19)2/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,21).
What are the key properties of 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).