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

C16H22N4O2 — CID 169419833

IUPAC1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCc2oc(C(C)C)nc2C1)n1cccn1
InChIInChI=1S/C16H22N4O2/c1-4-13(20-8-5-7-17-20)16(21)19-9-6-14-12(10-19)18-15(22-14)11(2)3/h5,7-8,11,13H,4,6,9-10H2,1-3H3
InChIKeyCWQIEEVWFQSRQG-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.53
Rot. Bonds4

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

1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one (PubChem CID 169419833) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one
PubChem CID169419833
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCc2oc(C(C)C)nc2C1)n1cccn1
InChIInChI=1S/C16H22N4O2/c1-4-13(20-8-5-7-17-20)16(21)19-9-6-14-12(10-19)18-15(22-14)11(2)3/h5,7-8,11,13H,4,6,9-10H2,1-3H3
InChIKeyCWQIEEVWFQSRQG-UHFFFAOYSA-N
XLogP2.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one (CID 169419833) is 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCc2oc(C(C)C)nc2C1)n1cccn1.
What is the InChIKey of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one?
The InChIKey is CWQIEEVWFQSRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-13(20-8-5-7-17-20)16(21)19-9-6-14-12(10-19)18-15(22-14)11(2)3/h5,7-8,11,13H,4,6,9-10H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one?
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one has a molecular weight of 302.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 169419833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).