[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C17H17ClN2O3 — CID 94488343

IUPAC[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@H]2CCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)on1
InChIInChI=1S/C17H17ClN2O3/c1-10-7-15(23-19-10)13-3-2-6-20(13)17(21)16-9-11-8-12(18)4-5-14(11)22-16/h4-5,7-8,13,16H,2-3,6,9H2,1H3/t13-,16-/m1/s1
InChIKeyNSVTWFXWXHPSJW-CZUORRHYSA-N
MW332.79 g/mol
LogP3.30
Rot. Bonds2

About [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 94488343) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID94488343
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@H]2CCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)on1
InChIInChI=1S/C17H17ClN2O3/c1-10-7-15(23-19-10)13-3-2-6-20(13)17(21)16-9-11-8-12(18)4-5-14(11)22-16/h4-5,7-8,13,16H,2-3,6,9H2,1H3/t13-,16-/m1/s1
InChIKeyNSVTWFXWXHPSJW-CZUORRHYSA-N
XLogP3.30
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46637490
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56819155
(6-chloropyridazin-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61051342
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 126840478
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224224
(2R)-2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119112336
(4-aminooxolan-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66236852
(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809674

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 94488343) is [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc([C@H]2CCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)on1.
What is the InChIKey of [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NSVTWFXWXHPSJW-CZUORRHYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-7-15(23-19-10)13-3-2-6-20(13)17(21)16-9-11-8-12(18)4-5-14(11)22-16/h4-5,7-8,13,16H,2-3,6,9H2,1H3/t13-,16-/m1/s1.
What are the key properties of [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 332.79 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 94488343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).