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

C15H23N3O3 — CID 106377132

IUPAC3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCCC(C)C1NC(=O)CCN(Cc2nc(C)c(C)o2)C1=O
InChIInChI=1S/C15H23N3O3/c1-5-9(2)14-15(20)18(7-6-12(19)17-14)8-13-16-10(3)11(4)21-13/h9,14H,5-8H2,1-4H3,(H,17,19)
InChIKeyWUZYGAZRJVAPLP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.55
Rot. Bonds4

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

3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 106377132) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID106377132
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCCC(C)C1NC(=O)CCN(Cc2nc(C)c(C)o2)C1=O
InChIInChI=1S/C15H23N3O3/c1-5-9(2)14-15(20)18(7-6-12(19)17-14)8-13-16-10(3)11(4)21-13/h9,14H,5-8H2,1-4H3,(H,17,19)
InChIKeyWUZYGAZRJVAPLP-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

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione (CID 106377132) is 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione is CCC(C)C1NC(=O)CCN(Cc2nc(C)c(C)o2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is WUZYGAZRJVAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-9(2)14-15(20)18(7-6-12(19)17-14)8-13-16-10(3)11(4)21-13/h9,14H,5-8H2,1-4H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione?
3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-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 3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 106377132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).