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

C16H16N4O4 — CID 124891903

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C16H16N4O4/c1-9-13(10(2)23-18-9)16(21)20-6-5-11(8-20)14-17-15(24-19-14)12-4-3-7-22-12/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyJRFJNSLLZDTNSY-LLVKDONJSA-N
MW328.33 g/mol
LogP2.56
Rot. Bonds3

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 124891903) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID124891903
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C16H16N4O4/c1-9-13(10(2)23-18-9)16(21)20-6-5-11(8-20)14-17-15(24-19-14)12-4-3-7-22-12/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyJRFJNSLLZDTNSY-LLVKDONJSA-N
XLogP2.56
TPSA98.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019667
[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 121019657
(E)-3-(furan-2-yl)-1-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 124891869
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258
[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 124892725
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 124761269
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92605224
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92605223

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 124891903) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JRFJNSLLZDTNSY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-9-13(10(2)23-18-9)16(21)20-6-5-11(8-20)14-17-15(24-19-14)12-4-3-7-22-12/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 328.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124891903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).