[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone

C22H29N3O3 — CID 58002361

IUPAC[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3ncc(C)o3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-17-4-6-18(7-5-17)19-12-20(21-23-13-16(2)28-21)15-25(14-19)22(26)24-8-10-27-11-9-24/h4-7,13,19-20H,3,8-12,14-15H2,1-2H3
InChIKeyGGLZQIXXIWJMMM-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.57
Rot. Bonds3

About [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone

[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 58002361) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID58002361
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3ncc(C)o3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-17-4-6-18(7-5-17)19-12-20(21-23-13-16(2)28-21)15-25(14-19)22(26)24-8-10-27-11-9-24/h4-7,13,19-20H,3,8-12,14-15H2,1-2H3
InChIKeyGGLZQIXXIWJMMM-UHFFFAOYSA-N
XLogP3.57
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 58002361) is [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone is CCc1ccc(C2CC(c3ncc(C)o3)CN(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GGLZQIXXIWJMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-17-4-6-18(7-5-17)19-12-20(21-23-13-16(2)28-21)15-25(14-19)22(26)24-8-10-27-11-9-24/h4-7,13,19-20H,3,8-12,14-15H2,1-2H3.
What are the key properties of [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 383.49 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58002361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).