8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione

C15H14BrN3O3 — CID 145096884

IUPAC8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione
SMILESCCc1cc(Cn2c(=O)c3cccc(Br)c3n(C)c2=O)on1
InChIInChI=1S/C15H14BrN3O3/c1-3-9-7-10(22-17-9)8-19-14(20)11-5-4-6-12(16)13(11)18(2)15(19)21/h4-7H,3,8H2,1-2H3
InChIKeyBCXYZNPXGAKPEW-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.06
Rot. Bonds3

About 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione

8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione (PubChem CID 145096884) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione
PubChem CID145096884
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione
SMILESCCc1cc(Cn2c(=O)c3cccc(Br)c3n(C)c2=O)on1
InChIInChI=1S/C15H14BrN3O3/c1-3-9-7-10(22-17-9)8-19-14(20)11-5-4-6-12(16)13(11)18(2)15(19)21/h4-7H,3,8H2,1-2H3
InChIKeyBCXYZNPXGAKPEW-UHFFFAOYSA-N
XLogP2.06
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonyl chloride
CID 121398353
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one
CID 113220147
1-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione
CID 145301412
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365682
2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 146144628
1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione
CID 145188656
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
1-[(3-bromophenyl)methyl]-8-ethoxy-3,7-dimethylpurine-2,6-dione
CID 1107298
7-bromo-3-ethyl-1-methylindazole
CID 59778768
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629044
1,3-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione
CID 1257284
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione?
The IUPAC name of 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione (CID 145096884) is 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione?
The canonical SMILES for 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione is CCc1cc(Cn2c(=O)c3cccc(Br)c3n(C)c2=O)on1.
What is the InChIKey of 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione?
The InChIKey is BCXYZNPXGAKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-3-9-7-10(22-17-9)8-19-14(20)11-5-4-6-12(16)13(11)18(2)15(19)21/h4-7H,3,8H2,1-2H3.
What are the key properties of 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione?
8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione has a molecular weight of 364.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 145096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).