1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C16H16N4O2 — CID 120949540

IUPAC1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C16H16N4O2/c21-16(15-10-12-4-1-2-6-14(12)22-15)20-8-3-5-13(20)11-19-9-7-17-18-19/h1-2,4,6-7,9-10,13H,3,5,8,11H2/t13-/m0/s1
InChIKeyIZEBPWMVLHMVGK-ZDUSSCGKSA-N
MW296.33 g/mol
LogP2.33
Rot. Bonds3

About 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 120949540) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID120949540
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C16H16N4O2/c21-16(15-10-12-4-1-2-6-14(12)22-15)20-8-3-5-13(20)11-19-9-7-17-18-19/h1-2,4,6-7,9-10,13H,3,5,8,11H2/t13-/m0/s1
InChIKeyIZEBPWMVLHMVGK-ZDUSSCGKSA-N
XLogP2.33
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
5-[[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 136583254
(7-methyl-1-benzofuran-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95354054
2-naphthalen-1-yloxy-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120949565
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 40921065
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254794
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949625
(2-methoxypyrimidin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 136586362

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 120949540) is 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCC[C@H]1Cn1ccnn1.
What is the InChIKey of 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IZEBPWMVLHMVGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(15-10-12-4-1-2-6-14(12)22-15)20-8-3-5-13(20)11-19-9-7-17-18-19/h1-2,4,6-7,9-10,13H,3,5,8,11H2/t13-/m0/s1.
What are the key properties of 1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 296.33 g/mol, XLogP of 2.33, 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-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120949540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).