[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

C18H20N4O3 — CID 97224640

IUPAC[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)ccc21
InChIInChI=1S/C18H20N4O3/c1-21-15-7-6-12(10-14(15)19-20-21)18(24)22-8-2-4-13(22)11-16(23)17-5-3-9-25-17/h3,5-7,9-10,13,16,23H,2,4,8,11H2,1H3/t13-,16-/m1/s1
InChIKeyUYMZHDAZHFOWFJ-CZUORRHYSA-N
MW340.38 g/mol
LogP2.29
Rot. Bonds4

About [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone (PubChem CID 97224640) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
PubChem CID97224640
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)ccc21
InChIInChI=1S/C18H20N4O3/c1-21-15-7-6-12(10-14(15)19-20-21)18(24)22-8-2-4-13(22)11-16(23)17-5-3-9-25-17/h3,5-7,9-10,13,16,23H,2,4,8,11H2,1H3/t13-,16-/m1/s1
InChIKeyUYMZHDAZHFOWFJ-CZUORRHYSA-N
XLogP2.29
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-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

[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 125131336
(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347174
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240194
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 97240212
(5-ethyl-1H-pyrazol-3-yl)-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240223
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 97240205
[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 75387551
(5-chlorofuran-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240265

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone (CID 97224640) is [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone is Cn1nnc2cc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)ccc21.
What is the InChIKey of [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The InChIKey is UYMZHDAZHFOWFJ-CZUORRHYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-15-7-6-12(10-14(15)19-20-21)18(24)22-8-2-4-13(22)11-16(23)17-5-3-9-25-17/h3,5-7,9-10,13,16,23H,2,4,8,11H2,1H3/t13-,16-/m1/s1.
What are the key properties of [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 97224640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).