1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol

C18H25N3O2 — CID 169034074

IUPAC1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2nn3c(c2C(C)C)O[C@H](C)CC3)cn1
InChIInChI=1S/C18H25N3O2/c1-11(2)16-17(20-21-8-7-13(4)23-18(16)21)14-5-6-15(19-10-14)9-12(3)22/h5-6,10-13,22H,7-9H2,1-4H3/t12?,13-/m1/s1
InChIKeyAPODHRPAVFQYLC-ZGTCLIOFSA-N
MW315.42 g/mol
LogP3.16
Rot. Bonds4

About 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol

1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol (PubChem CID 169034074) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol
PubChem CID169034074
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2nn3c(c2C(C)C)O[C@H](C)CC3)cn1
InChIInChI=1S/C18H25N3O2/c1-11(2)16-17(20-21-8-7-13(4)23-18(16)21)14-5-6-15(19-10-14)9-12(3)22/h5-6,10-13,22H,7-9H2,1-4H3/t12?,13-/m1/s1
InChIKeyAPODHRPAVFQYLC-ZGTCLIOFSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol (CID 169034074) is 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol is CC(O)Cc1ccc(-c2nn3c(c2C(C)C)O[C@H](C)CC3)cn1.
What is the InChIKey of 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is APODHRPAVFQYLC-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)16-17(20-21-8-7-13(4)23-18(16)21)14-5-6-15(19-10-14)9-12(3)22/h5-6,10-13,22H,7-9H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol?
1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 169034074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).