3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione

C14H19N3O3 — CID 64968254

IUPAC3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1Cc1cc(C)no1
InChIInChI=1S/C14H19N3O3/c1-3-11-13(18)15-12(9-4-5-9)14(19)17(11)7-10-6-8(2)16-20-10/h6,9,11-12H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyCSYGZFJZDJVNIY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.00
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 64968254) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID64968254
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1Cc1cc(C)no1
InChIInChI=1S/C14H19N3O3/c1-3-11-13(18)15-12(9-4-5-9)14(19)17(11)7-10-6-8(2)16-20-10/h6,9,11-12H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyCSYGZFJZDJVNIY-UHFFFAOYSA-N
XLogP1.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 69243594
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885616
3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64885620
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968277
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963576
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64968359
3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969292
5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64947329

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione (CID 64968254) is 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1Cc1cc(C)no1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is CSYGZFJZDJVNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-11-13(18)15-12(9-4-5-9)14(19)17(11)7-10-6-8(2)16-20-10/h6,9,11-12H,3-5,7H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64968254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).