1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C14H21N3O3 — CID 79237918

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1noc(C)c1C(C)N1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C14H21N3O3/c1-7(2)13-14(19)15-6-11(18)17(13)9(4)12-8(3)16-20-10(12)5/h7,9,13H,6H2,1-5H3,(H,15,19)
InChIKeyQCYJJIZYYRODGB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds3

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 79237918) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID79237918
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1noc(C)c1C(C)N1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C14H21N3O3/c1-7(2)13-14(19)15-6-11(18)17(13)9(4)12-8(3)16-20-10(12)5/h7,9,13H,6H2,1-5H3,(H,15,19)
InChIKeyQCYJJIZYYRODGB-UHFFFAOYSA-N
XLogP1.34
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965368
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106377238
1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione
CID 79777408
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 79238048
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
CID 79241941
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
CID 79237828
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964078
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-imidazole-2-thione
CID 79242286
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988
1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958842

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 79237918) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1noc(C)c1C(C)N1C(=O)CNC(=O)C1C(C)C.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is QCYJJIZYYRODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-7(2)13-14(19)15-6-11(18)17(13)9(4)12-8(3)16-20-10(12)5/h7,9,13H,6H2,1-5H3,(H,15,19).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 279.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 79237918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).