[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone

C20H20N4O3 — CID 169416755

IUPAC[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C20H20N4O3/c25-20(14-2-4-16(5-3-14)24-9-1-8-21-24)23-10-6-18-17(12-23)22-19(27-18)15-7-11-26-13-15/h1-5,8-9,15H,6-7,10-13H2
InChIKeyQYJJZMMOFIPTAI-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.56
Rot. Bonds3

About [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone

[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 169416755) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID169416755
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C20H20N4O3/c25-20(14-2-4-16(5-3-14)24-9-1-8-21-24)23-10-6-18-17(12-23)22-19(27-18)15-7-11-26-13-15/h1-5,8-9,15H,6-7,10-13H2
InChIKeyQYJJZMMOFIPTAI-UHFFFAOYSA-N
XLogP2.56
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 169416755) is [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCc2oc(C3CCOC3)nc2C1.
What is the InChIKey of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is QYJJZMMOFIPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(14-2-4-16(5-3-14)24-9-1-8-21-24)23-10-6-18-17(12-23)22-19(27-18)15-7-11-26-13-15/h1-5,8-9,15H,6-7,10-13H2.
What are the key properties of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 364.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 169416755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).