(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C10H11N5O2 — CID 86265293

IUPAC(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(n3ccnn3)C2)no1
InChIInChI=1S/C10H11N5O2/c1-7-4-9(12-17-7)10(16)14-5-8(6-14)15-3-2-11-13-15/h2-4,8H,5-6H2,1H3
InChIKeyFEXNUZXPPPQMSE-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.27
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 86265293) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID86265293
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(n3ccnn3)C2)no1
InChIInChI=1S/C10H11N5O2/c1-7-4-9(12-17-7)10(16)14-5-8(6-14)15-3-2-11-13-15/h2-4,8H,5-6H2,1H3
InChIKeyFEXNUZXPPPQMSE-UHFFFAOYSA-N
XLogP0.27
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 86265293) is (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is Cc1cc(C(=O)N2CC(n3ccnn3)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is FEXNUZXPPPQMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-4-9(12-17-7)10(16)14-5-8(6-14)15-3-2-11-13-15/h2-4,8H,5-6H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 233.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 86265293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).