2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone

C17H20N4O2 — CID 97342630

IUPAC2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(C[C@H]1CCCO1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H20N4O2/c22-17(9-15-7-4-8-23-15)20-10-14(11-20)21-12-16(18-19-21)13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-11H2/t15-/m1/s1
InChIKeyUSQMVZLDZOURDX-OAHLLOKOSA-N
MW312.37 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone

2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 97342630) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
PubChem CID97342630
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(C[C@H]1CCCO1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H20N4O2/c22-17(9-15-7-4-8-23-15)20-10-14(11-20)21-12-16(18-19-21)13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-11H2/t15-/m1/s1
InChIKeyUSQMVZLDZOURDX-OAHLLOKOSA-N
XLogP1.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342629
N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 97342620
1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 75473418
2-(benzotriazol-1-yl)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 91624960
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 75473448
N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
CID 146131664
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
CID 86264982
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
CID 75473404
2-benzylsulfanyl-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986511

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone (CID 97342630) is 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone is O=C(C[C@H]1CCCO1)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is USQMVZLDZOURDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(9-15-7-4-8-23-15)20-10-14(11-20)21-12-16(18-19-21)13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-11H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 97342630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).