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

C17H21N3O2 — CID 91959391

IUPAC3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCC(NC(=O)c1nn2c(c1C)OCCC2)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-3-14(13-8-5-4-6-9-13)18-16(21)15-12(2)17-20(19-15)10-7-11-22-17/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H,18,21)
InChIKeyJCEWQIXKIWLVNC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds4

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

3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959391) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959391
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCC(NC(=O)c1nn2c(c1C)OCCC2)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-3-14(13-8-5-4-6-9-13)18-16(21)15-12(2)17-20(19-15)10-7-11-22-17/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H,18,21)
InChIKeyJCEWQIXKIWLVNC-UHFFFAOYSA-N
XLogP2.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959391) is 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCC(NC(=O)c1nn2c(c1C)OCCC2)c1ccccc1.
What is the InChIKey of 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is JCEWQIXKIWLVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-14(13-8-5-4-6-9-13)18-16(21)15-12(2)17-20(19-15)10-7-11-22-17/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).