7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one

C10H10BrNO2 — CID 82095446

IUPAC7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one
SMILESCCc1cc(Br)c2oc(=O)n(C)c2c1
InChIInChI=1S/C10H10BrNO2/c1-3-6-4-7(11)9-8(5-6)12(2)10(13)14-9/h4-5H,3H2,1-2H3
InChIKeyLJLKIHFLOJILEX-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.46
Rot. Bonds1

About 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one

7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one (PubChem CID 82095446) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one
PubChem CID82095446
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one
SMILESCCc1cc(Br)c2oc(=O)n(C)c2c1
InChIInChI=1S/C10H10BrNO2/c1-3-6-4-7(11)9-8(5-6)12(2)10(13)14-9/h4-5H,3H2,1-2H3
InChIKeyLJLKIHFLOJILEX-UHFFFAOYSA-N
XLogP2.46
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one
CID 83903533
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
7-bromo-5-ethyl-1-benzofuran
CID 84689558
N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70122231
2,6-dibromo-4-ethylaniline
CID 14043928
5-[[bromomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115262110
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanoic acid
CID 116964078
3-methyl-5-[2-(methylaminomethylamino)ethyl]-1,3-benzoxazol-2-one
CID 115227229
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
CID 110786920
8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184298
3,7-dimethyl-1,3-benzoxazol-2-one
CID 76847960

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one (CID 82095446) is 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one is CCc1cc(Br)c2oc(=O)n(C)c2c1.
What is the InChIKey of 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is LJLKIHFLOJILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-3-6-4-7(11)9-8(5-6)12(2)10(13)14-9/h4-5H,3H2,1-2H3.
What are the key properties of 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one?
7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).