2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone

C16H22N4O2 — CID 169421225

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCc3oc(C(C)C)nc3C2)n1
InChIInChI=1S/C16H22N4O2/c1-10(2)16-17-13-8-19(6-5-14(13)22-16)15(21)9-20-12(4)7-11(3)18-20/h7,10H,5-6,8-9H2,1-4H3
InChIKeyUHOOSKAIGPRNHV-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.20
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 169421225) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID169421225
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCc3oc(C(C)C)nc3C2)n1
InChIInChI=1S/C16H22N4O2/c1-10(2)16-17-13-8-19(6-5-14(13)22-16)15(21)9-20-12(4)7-11(3)18-20/h7,10H,5-6,8-9H2,1-4H3
InChIKeyUHOOSKAIGPRNHV-UHFFFAOYSA-N
XLogP2.20
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone (CID 169421225) is 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone is Cc1cc(C)n(CC(=O)N2CCc3oc(C(C)C)nc3C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is UHOOSKAIGPRNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)16-17-13-8-19(6-5-14(13)22-16)15(21)9-20-12(4)7-11(3)18-20/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 302.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 169421225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).