[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone

C17H16N2O2 — CID 95712640

IUPAC[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2O1)N1CC(c2ccncc2)C1
InChIInChI=1S/C17H16N2O2/c20-17(16-9-13-3-1-2-4-15(13)21-16)19-10-14(11-19)12-5-7-18-8-6-12/h1-8,14,16H,9-11H2/t16-/m0/s1
InChIKeyNQNQYBMYRQCFNN-INIZCTEOSA-N
MW280.33 g/mol
LogP2.01
Rot. Bonds2

About [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone (PubChem CID 95712640) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
PubChem CID95712640
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2O1)N1CC(c2ccncc2)C1
InChIInChI=1S/C17H16N2O2/c20-17(16-9-13-3-1-2-4-15(13)21-16)19-10-14(11-19)12-5-7-18-8-6-12/h1-8,14,16H,9-11H2/t16-/m0/s1
InChIKeyNQNQYBMYRQCFNN-INIZCTEOSA-N
XLogP2.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 95570301
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 102937972
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
2,3-dihydro-1-benzofuran-2-yl-(2-phenylmorpholin-4-yl)methanone
CID 134040017
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734693
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 62061970
N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 56716133
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
The IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone (CID 95712640) is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone is O=C([C@@H]1Cc2ccccc2O1)N1CC(c2ccncc2)C1.
What is the InChIKey of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
The InChIKey is NQNQYBMYRQCFNN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(16-9-13-3-1-2-4-15(13)21-16)19-10-14(11-19)12-5-7-18-8-6-12/h1-8,14,16H,9-11H2/t16-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone has a molecular weight of 280.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 95712640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).