methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate

C16H19N3O5 — CID 45193959

IUPACmethyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1Cc1nc(-c2ccoc2)oc1C
InChIInChI=1S/C16H19N3O5/c1-10-12(18-16(24-10)11-3-6-23-9-11)8-19-5-4-17-15(21)13(19)7-14(20)22-2/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,17,21)
InChIKeyHSDCOQXMKGYKLS-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.11
Rot. Bonds5

About methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 45193959) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID45193959
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namemethyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1Cc1nc(-c2ccoc2)oc1C
InChIInChI=1S/C16H19N3O5/c1-10-12(18-16(24-10)11-3-6-23-9-11)8-19-5-4-17-15(21)13(19)7-14(20)22-2/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,17,21)
InChIKeyHSDCOQXMKGYKLS-UHFFFAOYSA-N
XLogP1.11
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate (CID 45193959) is methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1Cc1nc(-c2ccoc2)oc1C.
What is the InChIKey of methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is HSDCOQXMKGYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-12(18-16(24-10)11-3-6-23-9-11)8-19-5-4-17-15(21)13(19)7-14(20)22-2/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,17,21).
What are the key properties of methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 333.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 45193959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).