5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole

C16H18N4O — CID 25165081

IUPAC5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole
SMILESc1cc2[nH]ncc2cc1-c1cc(CN2CCCCC2)no1
InChIInChI=1S/C16H18N4O/c1-2-6-20(7-3-1)11-14-9-16(21-19-14)12-4-5-15-13(8-12)10-17-18-15/h4-5,8-10H,1-3,6-7,11H2,(H,17,18)
InChIKeyZTUKHYNMEWPBNZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.20
Rot. Bonds3

About 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole

5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole (PubChem CID 25165081) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole
PubChem CID25165081
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole
SMILESc1cc2[nH]ncc2cc1-c1cc(CN2CCCCC2)no1
InChIInChI=1S/C16H18N4O/c1-2-6-20(7-3-1)11-14-9-16(21-19-14)12-4-5-15-13(8-12)10-17-18-15/h4-5,8-10H,1-3,6-7,11H2,(H,17,18)
InChIKeyZTUKHYNMEWPBNZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.20
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)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole (CID 25165081) is 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole is c1cc2[nH]ncc2cc1-c1cc(CN2CCCCC2)no1.
What is the InChIKey of 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
The InChIKey is ZTUKHYNMEWPBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-6-20(7-3-1)11-14-9-16(21-19-14)12-4-5-15-13(8-12)10-17-18-15/h4-5,8-10H,1-3,6-7,11H2,(H,17,18).
What are the key properties of 5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)-1,2-oxazole has a molecular weight of 282.35 g/mol, XLogP of 3.20, 3 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)-3-(piperidin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 25165081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).