[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C16H14N4O3 — CID 124761234

IUPAC[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C16H14N4O3/c21-16(20-7-6-12(9-20)15-17-10-22-19-15)13-8-14(23-18-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2/t12-/m1/s1
InChIKeyXSBOEQBARXSOSE-GFCCVEGCSA-N
MW310.31 g/mol
LogP2.35
Rot. Bonds3

About [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 124761234) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID124761234
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C16H14N4O3/c21-16(20-7-6-12(9-20)15-17-10-22-19-15)13-8-14(23-18-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2/t12-/m1/s1
InChIKeyXSBOEQBARXSOSE-GFCCVEGCSA-N
XLogP2.35
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 124761234) is [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ncon2)C1.
What is the InChIKey of [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is XSBOEQBARXSOSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-16(20-7-6-12(9-20)15-17-10-22-19-15)13-8-14(23-18-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2/t12-/m1/s1.
What are the key properties of [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 310.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 124761234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).