3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione

C11H15N3O3 — CID 114180954

IUPAC3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCc1cnc(CN2CCC(=O)NC(C)C2=O)o1
InChIInChI=1S/C11H15N3O3/c1-7-5-12-10(17-7)6-14-4-3-9(15)13-8(2)11(14)16/h5,8H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyPOQGSWUUQBAXPF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.22
Rot. Bonds2

About 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione

3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 114180954) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID114180954
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCc1cnc(CN2CCC(=O)NC(C)C2=O)o1
InChIInChI=1S/C11H15N3O3/c1-7-5-12-10(17-7)6-14-4-3-9(15)13-8(2)11(14)16/h5,8H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyPOQGSWUUQBAXPF-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
CID 106373170
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
CID 106376506
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64884532
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64966350
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881794
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884536
1-[(4-fluoro-2-methylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 114349688
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione
CID 106377205
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258
1-[(2,5-difluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884738

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione (CID 114180954) is 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione is Cc1cnc(CN2CCC(=O)NC(C)C2=O)o1.
What is the InChIKey of 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is POQGSWUUQBAXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-5-12-10(17-7)6-14-4-3-9(15)13-8(2)11(14)16/h5,8H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 237.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 114180954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).