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

C15H21N5O2 — CID 91959316

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C15H21N5O2/c1-2-13-16-6-9-19(13)7-3-5-17-15(21)12-11-14-20(18-12)8-4-10-22-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,17,21)
InChIKeyKNWWVDUKWCPXER-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.24
Rot. Bonds6

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

N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959316) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959316
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C15H21N5O2/c1-2-13-16-6-9-19(13)7-3-5-17-15(21)12-11-14-20(18-12)8-4-10-22-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,17,21)
InChIKeyKNWWVDUKWCPXER-UHFFFAOYSA-N
XLogP1.24
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959316) is N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCc1nccn1CCCNC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is KNWWVDUKWCPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-13-16-6-9-19(13)7-3-5-17-15(21)12-11-14-20(18-12)8-4-10-22-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,17,21).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[3-(2-ethylimidazol-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 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).