2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

C20H22N4O3 — CID 91915851

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H22N4O3/c1-13-17(14(2)26-22-13)11-19(25)24-9-8-15(12-24)10-18-21-20(27-23-18)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3
InChIKeyLADULJZTYNLLNK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.98
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 91915851) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID91915851
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H22N4O3/c1-13-17(14(2)26-22-13)11-19(25)24-9-8-15(12-24)10-18-21-20(27-23-18)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3
InChIKeyLADULJZTYNLLNK-UHFFFAOYSA-N
XLogP2.98
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone (CID 91915851) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCC(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is LADULJZTYNLLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-17(14(2)26-22-13)11-19(25)24-9-8-15(12-24)10-18-21-20(27-23-18)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 366.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91915851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).