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

C11H15N3O3 — CID 79777408

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESCc1noc(C)c1C(C)N1CCC(=O)NC1=O
InChIInChI=1S/C11H15N3O3/c1-6-10(8(3)17-13-6)7(2)14-5-4-9(15)12-11(14)16/h7H,4-5H2,1-3H3,(H,12,15,16)
InChIKeyRINYZVPMSIPRRN-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.29
Rot. Bonds2

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

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 79777408) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID79777408
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESCc1noc(C)c1C(C)N1CCC(=O)NC1=O
InChIInChI=1S/C11H15N3O3/c1-6-10(8(3)17-13-6)7(2)14-5-4-9(15)12-11(14)16/h7H,4-5H2,1-3H3,(H,12,15,16)
InChIKeyRINYZVPMSIPRRN-UHFFFAOYSA-N
XLogP1.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione
CID 79778117
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine
CID 79242180
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 79238048
4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237989
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79237918
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
CID 79241941
1-(1-cyclopentylethyl)-1,3-diazinane-2,4-dione
CID 79777176
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 113428831
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-imidazole-2-thione
CID 79242286
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
CID 79237828
1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione
CID 79778126
4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione (CID 79777408) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione is Cc1noc(C)c1C(C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is RINYZVPMSIPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-10(8(3)17-13-6)7(2)14-5-4-9(15)12-11(14)16/h7H,4-5H2,1-3H3,(H,12,15,16).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 1.29, 2 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]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).