2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid

C11H11NO3 — CID 105457087

IUPAC2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid
SMILESCCc1noc2ccc(CC(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-2-9-8-5-7(6-11(13)14)3-4-10(8)15-12-9/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyKQJDFCUXKDNCTL-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid

2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid (PubChem CID 105457087) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid
PubChem CID105457087
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid
SMILESCCc1noc2ccc(CC(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-2-9-8-5-7(6-11(13)14)3-4-10(8)15-12-9/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyKQJDFCUXKDNCTL-UHFFFAOYSA-N
XLogP2.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-1,2-benzoxazol-6-yl)propanoic acid
CID 105473714
2-(5-chloro-1,2-benzoxazol-3-yl)acetic acid
CID 15562921
3-(2-chloroethyl)-5-ethyl-1,2-benzoxazole
CID 39097321
3-ethyl-N-methyl-1,2-benzoxazol-5-amine
CID 166648258
(3-ethyl-1,2-benzoxazol-6-yl) acetate
CID 15563065
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(4-ethyl-3-methylsulfanylphenyl)acetic acid
CID 91880877
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-(3-methylsulfanyl-2-phenyl-1-benzofuran-5-yl)acetic acid
CID 139071429
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid (CID 105457087) is 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid is CCc1noc2ccc(CC(=O)O)cc12.
What is the InChIKey of 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid?
The InChIKey is KQJDFCUXKDNCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-9-8-5-7(6-11(13)14)3-4-10(8)15-12-9/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid?
2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid is sourced from PubChem (CID 105457087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).