[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

C16H18N4O2 — CID 97342620

IUPAC[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H18N4O2/c21-16(13-6-7-22-11-13)19-8-14(9-19)20-10-15(17-18-20)12-4-2-1-3-5-12/h1-5,10,13-14H,6-9,11H2/t13-/m0/s1
InChIKeyBCNVIVBGTKWPRT-ZDUSSCGKSA-N
MW298.35 g/mol
LogP1.36
Rot. Bonds3

About [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 97342620) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID97342620
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H18N4O2/c21-16(13-6-7-22-11-13)19-8-14(9-19)20-10-15(17-18-20)12-4-2-1-3-5-12/h1-5,10,13-14H,6-9,11H2/t13-/m0/s1
InChIKeyBCNVIVBGTKWPRT-ZDUSSCGKSA-N
XLogP1.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
1-[1-(oxane-3-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310648
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129354702
2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342630
2-[(2S)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342629
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930
[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
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
(4-phenyloxan-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149929
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (CID 97342620) is [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is O=C([C@H]1CCOC1)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is BCNVIVBGTKWPRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(13-6-7-22-11-13)19-8-14(9-19)20-10-15(17-18-20)12-4-2-1-3-5-12/h1-5,10,13-14H,6-9,11H2/t13-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 97342620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).