2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid

C10H8BrNO3 — CID 83903209

IUPAC2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
SMILESCc1nc2cc(Br)cc(CC(=O)O)c2o1
InChIInChI=1S/C10H8BrNO3/c1-5-12-8-4-7(11)2-6(3-9(13)14)10(8)15-5/h2,4H,3H2,1H3,(H,13,14)
InChIKeyUTZJFFWSMMMECY-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.53
Rot. Bonds2

About 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid

2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid (PubChem CID 83903209) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
PubChem CID83903209
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
SMILESCc1nc2cc(Br)cc(CC(=O)O)c2o1
InChIInChI=1S/C10H8BrNO3/c1-5-12-8-4-7(11)2-6(3-9(13)14)10(8)15-5/h2,4H,3H2,1H3,(H,13,14)
InChIKeyUTZJFFWSMMMECY-UHFFFAOYSA-N
XLogP2.53
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide
CID 146094446
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 84779330
3-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82233736
N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-(cyanomethylsulfanyl)acetamide
CID 99833187
1-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090195
2-(5-bromo-1-benzofuran-7-yl)acetic acid
CID 83900977
2,5-dimethyl-1,3-benzoxazole-7-carboxylic acid
CID 69088021
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
CID 82233690
N-[4-[2-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoylamino]ethyl]phenyl]acetamide
CID 99793928
5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole
CID 11057943

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid (CID 83903209) is 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid is Cc1nc2cc(Br)cc(CC(=O)O)c2o1.
What is the InChIKey of 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid?
The InChIKey is UTZJFFWSMMMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-5-12-8-4-7(11)2-6(3-9(13)14)10(8)15-5/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid?
2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid has a molecular weight of 270.08 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid is sourced from PubChem (CID 83903209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).