[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone

C19H21N3O3 — CID 97016768

IUPAC[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone
SMILESO=C([C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C19H21N3O3/c23-19(14-9-11-24-16-6-2-1-4-13(14)16)22-10-3-5-15(22)17-20-18(25-21-17)12-7-8-12/h1-2,4,6,12,14-15H,3,5,7-11H2/t14-,15-/m1/s1
InChIKeyALRJBSWLDMPACQ-HUUCEWRRSA-N
MW339.40 g/mol
LogP3.18
Rot. Bonds3

About [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone

[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone (PubChem CID 97016768) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone
PubChem CID97016768
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone
SMILESO=C([C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C19H21N3O3/c23-19(14-9-11-24-16-6-2-1-4-13(14)16)22-10-3-5-15(22)17-20-18(25-21-17)12-7-8-12/h1-2,4,6,12,14-15H,3,5,7-11H2/t14-,15-/m1/s1
InChIKeyALRJBSWLDMPACQ-HUUCEWRRSA-N
XLogP3.18
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S)-2,3-dihydro-1H-inden-1-yl]methanone
CID 97017050
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 97013185
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95299285
3,4-dihydro-2H-chromen-4-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 63710482
3,4-dihydro-2H-chromen-4-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 86951232
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779512
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97018134
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 71928959
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 71928854

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone?
The IUPAC name of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone (CID 97016768) is [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone.
What is the SMILES notation for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone?
The canonical SMILES for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone is O=C([C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1noc(C2CC2)n1.
What is the InChIKey of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone?
The InChIKey is ALRJBSWLDMPACQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(14-9-11-24-16-6-2-1-4-13(14)16)22-10-3-5-15(22)17-20-18(25-21-17)12-7-8-12/h1-2,4,6,12,14-15H,3,5,7-11H2/t14-,15-/m1/s1.
What are the key properties of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone?
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone is sourced from PubChem (CID 97016768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).