[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

C16H16N4O2 — CID 25164885

IUPAC[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-6-2-1-3-7-20)14-9-15(22-19-14)11-4-5-13-12(8-11)10-17-18-13/h4-5,8-10H,1-3,6-7H2,(H,17,18)
InChIKeyZVZCNOQSOULQEK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.84
Rot. Bonds2

About [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 25164885) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
PubChem CID25164885
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-6-2-1-3-7-20)14-9-15(22-19-14)11-4-5-13-12(8-11)10-17-18-13/h4-5,8-10H,1-3,6-7H2,(H,17,18)
InChIKeyZVZCNOQSOULQEK-UHFFFAOYSA-N
XLogP2.84
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (CID 25164885) is [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCCC1.
What is the InChIKey of [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is ZVZCNOQSOULQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(20-6-2-1-3-7-20)14-9-15(22-19-14)11-4-5-13-12(8-11)10-17-18-13/h4-5,8-10H,1-3,6-7H2,(H,17,18).
What are the key properties of [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25164885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).