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

C15H23N3O3 — CID 79232203

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1Cc1c(C)noc1C
InChIInChI=1S/C15H23N3O3/c1-6-12-14(19)16-13(8(2)3)15(20)18(12)7-11-9(4)17-21-10(11)5/h8,12-13H,6-7H2,1-5H3,(H,16,19)
InChIKeyNZSGRYBOWVPXMA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.55
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 79232203) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID79232203
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1Cc1c(C)noc1C
InChIInChI=1S/C15H23N3O3/c1-6-12-14(19)16-13(8(2)3)15(20)18(12)7-11-9(4)17-21-10(11)5/h8,12-13H,6-7H2,1-5H3,(H,16,19)
InChIKeyNZSGRYBOWVPXMA-UHFFFAOYSA-N
XLogP1.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79237764
1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 65244955
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79232201
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 106409291
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970456

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 79232203) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1Cc1c(C)noc1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NZSGRYBOWVPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-6-12-14(19)16-13(8(2)3)15(20)18(12)7-11-9(4)17-21-10(11)5/h8,12-13H,6-7H2,1-5H3,(H,16,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 79232203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).