morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone

C19H22N4O4 — CID 125013177

IUPACmorpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone
SMILESO=C(c1cccc([C@H]2CCCN(C(=O)c3cnco3)C2)n1)N1CCOCC1
InChIInChI=1S/C19H22N4O4/c24-18(22-7-9-26-10-8-22)16-5-1-4-15(21-16)14-3-2-6-23(12-14)19(25)17-11-20-13-27-17/h1,4-5,11,13-14H,2-3,6-10,12H2/t14-/m0/s1
InChIKeyWDJAOJNVAJKYNA-AWEZNQCLSA-N
MW370.41 g/mol
LogP1.56
Rot. Bonds3

About morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone

morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone (PubChem CID 125013177) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone
PubChem CID125013177
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Namemorpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone
SMILESO=C(c1cccc([C@H]2CCCN(C(=O)c3cnco3)C2)n1)N1CCOCC1
InChIInChI=1S/C19H22N4O4/c24-18(22-7-9-26-10-8-22)16-5-1-4-15(21-16)14-3-2-6-23(12-14)19(25)17-11-20-13-27-17/h1,4-5,11,13-14H,2-3,6-10,12H2/t14-/m0/s1
InChIKeyWDJAOJNVAJKYNA-AWEZNQCLSA-N
XLogP1.56
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone (CID 125013177) is morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone is O=C(c1cccc([C@H]2CCCN(C(=O)c3cnco3)C2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone?
The InChIKey is WDJAOJNVAJKYNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-18(22-7-9-26-10-8-22)16-5-1-4-15(21-16)14-3-2-6-23(12-14)19(25)17-11-20-13-27-17/h1,4-5,11,13-14H,2-3,6-10,12H2/t14-/m0/s1.
What are the key properties of morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone?
morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone has a molecular weight of 370.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 125013177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).