5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one

C11H10BrNO3 — CID 135380840

IUPAC5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one
SMILESCCOc1cc(Br)ccc1-c1cc(=O)[nH]o1
InChIInChI=1S/C11H10BrNO3/c1-2-15-9-5-7(12)3-4-8(9)10-6-11(14)13-16-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyLNVJBWNQCVPSDS-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.80
Rot. Bonds3

About 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one

5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one (PubChem CID 135380840) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one
PubChem CID135380840
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one
SMILESCCOc1cc(Br)ccc1-c1cc(=O)[nH]o1
InChIInChI=1S/C11H10BrNO3/c1-2-15-9-5-7(12)3-4-8(9)10-6-11(14)13-16-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyLNVJBWNQCVPSDS-UHFFFAOYSA-N
XLogP2.80
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
2-bromo-1-(4-bromo-2-ethoxyphenyl)ethanone
CID 22121450
2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
CID 135333421
2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
CID 170092769
2-(5-bromo-2-ethoxyphenyl)furan
CID 168526403
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CID 138974387
4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene
CID 167882354
5-[2-ethoxy-4-[6-[2-(5-fluoro-2,7-dimethyl-1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]phenyl]-1,2-oxazol-3-one
CID 150109960
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
CID 102460530
5-bromo-4-ethoxy-1H-pyridin-2-one
CID 119093951
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185097

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one (CID 135380840) is 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one is CCOc1cc(Br)ccc1-c1cc(=O)[nH]o1.
What is the InChIKey of 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one?
The InChIKey is LNVJBWNQCVPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-2-15-9-5-7(12)3-4-8(9)10-6-11(14)13-16-10/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one?
5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one has a molecular weight of 284.11 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 135380840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).