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

C20H21N3O3 — CID 50809068

IUPAC[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N3O3/c1-3-17-19(13(2)21-25-17)16-10-7-11-23(16)20(24)15-12-18(26-22-15)14-8-5-4-6-9-14/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3
InChIKeyQXNQKSOFUMEBBR-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.18
Rot. Bonds4

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

[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 50809068) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID50809068
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N3O3/c1-3-17-19(13(2)21-25-17)16-10-7-11-23(16)20(24)15-12-18(26-22-15)14-8-5-4-6-9-14/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3
InChIKeyQXNQKSOFUMEBBR-UHFFFAOYSA-N
XLogP4.18
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 50809068) is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is CCc1onc(C)c1C1CCCN1C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is QXNQKSOFUMEBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-17-19(13(2)21-25-17)16-10-7-11-23(16)20(24)15-12-18(26-22-15)14-8-5-4-6-9-14/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3.
What are the key properties of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 50809068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).