[2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H26N4O3 — CID 11695488

IUPAC[2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2coc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N4O3/c1-13(2)19-3-5-20(6-4-19)16(21)14-12-23-15(17-14)11-18-7-9-22-10-8-18/h12-13H,3-11H2,1-2H3
InChIKeyXOTIWBWHFMJYFD-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.67
Rot. Bonds4

About [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11695488) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11695488
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name[2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2coc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N4O3/c1-13(2)19-3-5-20(6-4-19)16(21)14-12-23-15(17-14)11-18-7-9-22-10-8-18/h12-13H,3-11H2,1-2H3
InChIKeyXOTIWBWHFMJYFD-UHFFFAOYSA-N
XLogP0.67
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11695488) is [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2coc(CN3CCOCC3)n2)CC1.
What is the InChIKey of [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XOTIWBWHFMJYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-13(2)19-3-5-20(6-4-19)16(21)14-12-23-15(17-14)11-18-7-9-22-10-8-18/h12-13H,3-11H2,1-2H3.
What are the key properties of [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylmethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11695488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).