1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C16H19N7O2 — CID 166238778

IUPAC1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(NCc1cc(C2CCNCC2)no1)Nc1nc2ccccn2n1
InChIInChI=1S/C16H19N7O2/c24-16(20-15-19-14-3-1-2-8-23(14)21-15)18-10-12-9-13(22-25-12)11-4-6-17-7-5-11/h1-3,8-9,11,17H,4-7,10H2,(H2,18,20,21,24)
InChIKeyOLOJCCNAEXMCTO-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.51
Rot. Bonds4

About 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 166238778) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID166238778
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(NCc1cc(C2CCNCC2)no1)Nc1nc2ccccn2n1
InChIInChI=1S/C16H19N7O2/c24-16(20-15-19-14-3-1-2-8-23(14)21-15)18-10-12-9-13(22-25-12)11-4-6-17-7-5-11/h1-3,8-9,11,17H,4-7,10H2,(H2,18,20,21,24)
InChIKeyOLOJCCNAEXMCTO-UHFFFAOYSA-N
XLogP1.51
TPSA109.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 166238778) is 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is O=C(NCc1cc(C2CCNCC2)no1)Nc1nc2ccccn2n1.
What is the InChIKey of 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is OLOJCCNAEXMCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c24-16(20-15-19-14-3-1-2-8-23(14)21-15)18-10-12-9-13(22-25-12)11-4-6-17-7-5-11/h1-3,8-9,11,17H,4-7,10H2,(H2,18,20,21,24).
What are the key properties of 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 341.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 166238778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).