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

C20H24N4O3S — CID 53168428

IUPAC[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C20H24N4O3S/c1-14-17(20(26)24-10-12-28-13-11-24)22-18(27-14)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
InChIKeyMYFMDZAFXAXQMF-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.59
Rot. Bonds3

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

[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53168428) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID53168428
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C20H24N4O3S/c1-14-17(20(26)24-10-12-28-13-11-24)22-18(27-14)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
InChIKeyMYFMDZAFXAXQMF-UHFFFAOYSA-N
XLogP2.59
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.59
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-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 53168428) is [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCSCC1.
What is the InChIKey of [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is MYFMDZAFXAXQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-17(20(26)24-10-12-28-13-11-24)22-18(27-14)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-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 400.50 g/mol, XLogP of 2.59, 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-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53168428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).