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

C19H24N2O3 — CID 50809079

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC2c2c(C)noc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-9-7-15(8-10-16)12-18(22)21-11-5-6-17(21)19-13(2)20-24-14(19)3/h7-10,17H,4-6,11-12H2,1-3H3
InChIKeyNJRRLYBPWJUVML-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.60
Rot. Bonds5

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

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone (PubChem CID 50809079) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
PubChem CID50809079
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC2c2c(C)noc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-9-7-15(8-10-16)12-18(22)21-11-5-6-17(21)19-13(2)20-24-14(19)3/h7-10,17H,4-6,11-12H2,1-3H3
InChIKeyNJRRLYBPWJUVML-UHFFFAOYSA-N
XLogP3.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone (CID 50809079) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCCC2c2c(C)noc2C)cc1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The InChIKey is NJRRLYBPWJUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-16-9-7-15(8-10-16)12-18(22)21-11-5-6-17(21)19-13(2)20-24-14(19)3/h7-10,17H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone has a molecular weight of 328.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 50809079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).