[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C18H27N3O4 — CID 70736513

IUPAC[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C18H27N3O4/c1-13(2)11-15-12-16(25-19-15)18(23)20-5-3-14(4-6-20)17(22)21-7-9-24-10-8-21/h12-14H,3-11H2,1-2H3
InChIKeyFUGBWKFXPSBWMX-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.58
Rot. Bonds4

About [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 70736513) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID70736513
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C18H27N3O4/c1-13(2)11-15-12-16(25-19-15)18(23)20-5-3-14(4-6-20)17(22)21-7-9-24-10-8-21/h12-14H,3-11H2,1-2H3
InChIKeyFUGBWKFXPSBWMX-UHFFFAOYSA-N
XLogP1.58
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 70736513) is [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is CC(C)Cc1cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)on1.
What is the InChIKey of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FUGBWKFXPSBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13(2)11-15-12-16(25-19-15)18(23)20-5-3-14(4-6-20)17(22)21-7-9-24-10-8-21/h12-14H,3-11H2,1-2H3.
What are the key properties of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 349.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70736513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).