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

C19H29N3O4 — CID 71837677

IUPAC2,2-dimethyl-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)C)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-13-15(17(23)21-9-11-25-12-10-21)20-16(26-13)14-5-7-22(8-6-14)18(24)19(2,3)4/h14H,5-12H2,1-4H3
InChIKeyOKXIPELMJNDVRY-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.21
Rot. Bonds2

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

2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 71837677) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID71837677
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2,2-dimethyl-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)C)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-13-15(17(23)21-9-11-25-12-10-21)20-16(26-13)14-5-7-22(8-6-14)18(24)19(2,3)4/h14H,5-12H2,1-4H3
InChIKeyOKXIPELMJNDVRY-UHFFFAOYSA-N
XLogP2.21
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (CID 71837677) is 2,2-dimethyl-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 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-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)C)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OKXIPELMJNDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13-15(17(23)21-9-11-25-12-10-21)20-16(26-13)14-5-7-22(8-6-14)18(24)19(2,3)4/h14H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71837677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).