2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

C22H27N3O3 — CID 164635069

IUPAC2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCCc1oc2ccccc2c1CC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C22H27N3O3/c1-5-19-17(16-8-6-7-9-20(16)28-19)12-21(26)25-10-11-27-13-18(25)22-14(2)23-24(4)15(22)3/h6-9,18H,5,10-13H2,1-4H3/t18-/m0/s1
InChIKeyPGQYQGOQSAUJAZ-SFHVURJKSA-N
MW381.48 g/mol
LogP3.49
Rot. Bonds4

About 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 164635069) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID164635069
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCCc1oc2ccccc2c1CC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C22H27N3O3/c1-5-19-17(16-8-6-7-9-20(16)28-19)12-21(26)25-10-11-27-13-18(25)22-14(2)23-24(4)15(22)3/h6-9,18H,5,10-13H2,1-4H3/t18-/m0/s1
InChIKeyPGQYQGOQSAUJAZ-SFHVURJKSA-N
XLogP3.49
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (CID 164635069) is 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is CCc1oc2ccccc2c1CC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C.
What is the InChIKey of 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is PGQYQGOQSAUJAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-19-17(16-8-6-7-9-20(16)28-19)12-21(26)25-10-11-27-13-18(25)22-14(2)23-24(4)15(22)3/h6-9,18H,5,10-13H2,1-4H3/t18-/m0/s1.
What are the key properties of 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 381.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-benzofuran-3-yl)-1-[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 164635069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).