2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C23H29N3O5 — CID 53168406

IUPAC2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C23H29N3O5/c1-16-21(23(28)26-11-13-30-14-12-26)24-22(31-16)17-7-9-25(10-8-17)20(27)15-18-5-3-4-6-19(18)29-2/h3-6,17H,7-15H2,1-2H3
InChIKeyXPFCDCBCVHLTGR-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.41
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168406) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168406
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C23H29N3O5/c1-16-21(23(28)26-11-13-30-14-12-26)24-22(31-16)17-7-9-25(10-8-17)20(27)15-18-5-3-4-6-19(18)29-2/h3-6,17H,7-15H2,1-2H3
InChIKeyXPFCDCBCVHLTGR-UHFFFAOYSA-N
XLogP2.41
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168406) is 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is XPFCDCBCVHLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-16-21(23(28)26-11-13-30-14-12-26)24-22(31-16)17-7-9-25(10-8-17)20(27)15-18-5-3-4-6-19(18)29-2/h3-6,17H,7-15H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 427.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53168406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).