1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone

C17H16N4O2 — CID 121189888

IUPAC1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(16-7-12-3-1-2-4-15(12)23-16)20-8-13(9-20)21-10-14(18-19-21)11-5-6-11/h1-4,7,10-11,13H,5-6,8-9H2
InChIKeyXDRLEONKQSTCOY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.60
Rot. Bonds3

About 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone

1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 121189888) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID121189888
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(16-7-12-3-1-2-4-15(12)23-16)20-8-13(9-20)21-10-14(18-19-21)11-5-6-11/h1-4,7,10-11,13H,5-6,8-9H2
InChIKeyXDRLEONKQSTCOY-UHFFFAOYSA-N
XLogP2.60
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 121190459
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
3-[3-(4-cyclopropyltriazol-1-yl)azetidine-1-carbonyl]-8-methoxychromen-2-one
CID 121190140
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
CID 121189876
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121189861
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190064
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
(3aR,7aS)-2-[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989212
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (CID 121189888) is 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is XDRLEONKQSTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(16-7-12-3-1-2-4-15(12)23-16)20-8-13(9-20)21-10-14(18-19-21)11-5-6-11/h1-4,7,10-11,13H,5-6,8-9H2.
What are the key properties of 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121189888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).