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

C18H27N3O4 — CID 71837671

IUPAC2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1oc(C2CCN(C(=O)C(C)C)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4/c1-12(2)17(22)20-6-4-14(5-7-20)16-19-15(13(3)25-16)18(23)21-8-10-24-11-9-21/h12,14H,4-11H2,1-3H3
InChIKeyXMWMVXBHCTYKJE-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.82
Rot. Bonds3

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

2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 71837671) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID71837671
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1oc(C2CCN(C(=O)C(C)C)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4/c1-12(2)17(22)20-6-4-14(5-7-20)16-19-15(13(3)25-16)18(23)21-8-10-24-11-9-21/h12,14H,4-11H2,1-3H3
InChIKeyXMWMVXBHCTYKJE-UHFFFAOYSA-N
XLogP1.82
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (CID 71837671) is 2-methyl-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 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is Cc1oc(C2CCN(C(=O)C(C)C)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XMWMVXBHCTYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-12(2)17(22)20-6-4-14(5-7-20)16-19-15(13(3)25-16)18(23)21-8-10-24-11-9-21/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71837671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).