5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine

C18H26N4O — CID 169034139

IUPAC5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ccc(-c2nn3c(c2C(C)C)O[C@@H](C)CC3)cn1
InChIInChI=1S/C18H26N4O/c1-11(2)16-17(21-22-9-8-13(5)23-18(16)22)14-6-7-15(19-10-14)20-12(3)4/h6-7,10-13H,8-9H2,1-5H3,(H,19,20)/t13-/m0/s1
InChIKeyRDXDLPUDFACKLR-ZDUSSCGKSA-N
MW314.43 g/mol
LogP4.06
Rot. Bonds4

About 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine

5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine (PubChem CID 169034139) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine
PubChem CID169034139
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ccc(-c2nn3c(c2C(C)C)O[C@@H](C)CC3)cn1
InChIInChI=1S/C18H26N4O/c1-11(2)16-17(21-22-9-8-13(5)23-18(16)22)14-6-7-15(19-10-14)20-12(3)4/h6-7,10-13H,8-9H2,1-5H3,(H,19,20)/t13-/m0/s1
InChIKeyRDXDLPUDFACKLR-ZDUSSCGKSA-N
XLogP4.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine (CID 169034139) is 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1ccc(-c2nn3c(c2C(C)C)O[C@@H](C)CC3)cn1.
What is the InChIKey of 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is RDXDLPUDFACKLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-11(2)16-17(21-22-9-8-13(5)23-18(16)22)14-6-7-15(19-10-14)20-12(3)4/h6-7,10-13H,8-9H2,1-5H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine?
5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 314.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 169034139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).