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

C20H24N4O4 — CID 53168410

IUPAC[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O4/c1-14-17(20(26)24-10-12-27-13-11-24)22-18(28-14)15-4-8-23(9-5-15)19(25)16-2-6-21-7-3-16/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyIWMYSMNUTOVAGI-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.87
Rot. Bonds3

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

[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53168410) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID53168410
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O4/c1-14-17(20(26)24-10-12-27-13-11-24)22-18(28-14)15-4-8-23(9-5-15)19(25)16-2-6-21-7-3-16/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyIWMYSMNUTOVAGI-UHFFFAOYSA-N
XLogP1.87
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 53168410) is [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is IWMYSMNUTOVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-17(20(26)24-10-12-27-13-11-24)22-18(28-14)15-4-8-23(9-5-15)19(25)16-2-6-21-7-3-16/h2-3,6-7,15H,4-5,8-13H2,1H3.
What are the key properties of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 384.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53168410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).