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

C13H16N4O3 — CID 95779250

IUPAC(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC[C@@H]1c1noc(C)n1
InChIInChI=1S/C13H16N4O3/c1-3-10-11(14-7-19-10)13(18)17-6-4-5-9(17)12-15-8(2)20-16-12/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyUAXAMEBRONHQGB-SECBINFHSA-N
MW276.30 g/mol
LogP1.91
Rot. Bonds3

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

(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 95779250) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID95779250
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC[C@@H]1c1noc(C)n1
InChIInChI=1S/C13H16N4O3/c1-3-10-11(14-7-19-10)13(18)17-6-4-5-9(17)12-15-8(2)20-16-12/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyUAXAMEBRONHQGB-SECBINFHSA-N
XLogP1.91
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 95779250) is (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is CCc1ocnc1C(=O)N1CCC[C@@H]1c1noc(C)n1.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UAXAMEBRONHQGB-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-10-11(14-7-19-10)13(18)17-6-4-5-9(17)12-15-8(2)20-16-12/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95779250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).