1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone

C11H13N5O2 — CID 121164760

IUPAC1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C11H13N5O2/c17-11(10-1-4-14-18-10)15-7-2-9(3-8-15)16-12-5-6-13-16/h1,4-6,9H,2-3,7-8H2
InChIKeyPGUXPUCOWWQUKU-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.74
Rot. Bonds2

About 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone

1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121164760) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121164760
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C11H13N5O2/c17-11(10-1-4-14-18-10)15-7-2-9(3-8-15)16-12-5-6-13-16/h1,4-6,9H,2-3,7-8H2
InChIKeyPGUXPUCOWWQUKU-UHFFFAOYSA-N
XLogP0.74
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121164760) is 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccno1)N1CCC(n2nccn2)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PGUXPUCOWWQUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(10-1-4-14-18-10)15-7-2-9(3-8-15)16-12-5-6-13-16/h1,4-6,9H,2-3,7-8H2.
What are the key properties of 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 247.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121164760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).