3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one

C18H27N3O5 — CID 53168409

IUPAC3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C18H27N3O5/c1-13-16(18(23)21-8-11-25-12-9-21)19-17(26-13)14-3-6-20(7-4-14)15(22)5-10-24-2/h14H,3-12H2,1-2H3
InChIKeyYEXQWTUTGROGFJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.20
Rot. Bonds5

About 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 53168409) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID53168409
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C18H27N3O5/c1-13-16(18(23)21-8-11-25-12-9-21)19-17(26-13)14-3-6-20(7-4-14)15(22)5-10-24-2/h14H,3-12H2,1-2H3
InChIKeyYEXQWTUTGROGFJ-UHFFFAOYSA-N
XLogP1.20
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (CID 53168409) is 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is YEXQWTUTGROGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-13-16(18(23)21-8-11-25-12-9-21)19-17(26-13)14-3-6-20(7-4-14)15(22)5-10-24-2/h14H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 365.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53168409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).