1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione

C14H20N4O3 — CID 94171437

IUPAC1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC[C@@H](C)N1CCC(=O)N(Cc2nc(C3CC3)no2)C1=O
InChIInChI=1S/C14H20N4O3/c1-3-9(2)17-7-6-12(19)18(14(17)20)8-11-15-13(16-21-11)10-4-5-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXPMGWBIIJFYARU-SECBINFHSA-N
MW292.34 g/mol
LogP1.90
Rot. Bonds5

About 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione

1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 94171437) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID94171437
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC[C@@H](C)N1CCC(=O)N(Cc2nc(C3CC3)no2)C1=O
InChIInChI=1S/C14H20N4O3/c1-3-9(2)17-7-6-12(19)18(14(17)20)8-11-15-13(16-21-11)10-4-5-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXPMGWBIIJFYARU-SECBINFHSA-N
XLogP1.90
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-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

methyl 3-[3-[(3-butan-2-yl-2,6-dioxo-1,3-diazinan-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 136524818
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97343945
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
CID 28872437
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
6-chloro-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethylpyrimidin-4-one
CID 114584235
2-tert-butyl-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1,2,4-triazol-3-one
CID 75505888
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63811888
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione (CID 94171437) is 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione is CC[C@@H](C)N1CCC(=O)N(Cc2nc(C3CC3)no2)C1=O.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is XPMGWBIIJFYARU-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-9(2)17-7-6-12(19)18(14(17)20)8-11-15-13(16-21-11)10-4-5-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione?
1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 94171437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).