(3-ethyl-1,2-benzoxazol-6-yl) acetate

C11H11NO3 — CID 15563065

IUPAC(3-ethyl-1,2-benzoxazol-6-yl) acetate
SMILESCCc1noc2cc(OC(C)=O)ccc12
InChIInChI=1S/C11H11NO3/c1-3-10-9-5-4-8(14-7(2)13)6-11(9)15-12-10/h4-6H,3H2,1-2H3
InChIKeyNOPRGFZVRWXFNQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.32
Rot. Bonds2

About (3-ethyl-1,2-benzoxazol-6-yl) acetate

(3-ethyl-1,2-benzoxazol-6-yl) acetate (PubChem CID 15563065) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3-ethyl-1,2-benzoxazol-6-yl) acetate.

Molecular Properties

Compound Name(3-ethyl-1,2-benzoxazol-6-yl) acetate
PubChem CID15563065
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3-ethyl-1,2-benzoxazol-6-yl) acetate
SMILESCCc1noc2cc(OC(C)=O)ccc12
InChIInChI=1S/C11H11NO3/c1-3-10-9-5-4-8(14-7(2)13)6-11(9)15-12-10/h4-6H,3H2,1-2H3
InChIKeyNOPRGFZVRWXFNQ-UHFFFAOYSA-N
XLogP2.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3-ethyl-1,2-benzoxazol-6-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethyl-1,2-benzoxazol-6-yl)propanoic acid
CID 105473714
6-bromo-3-ethyl-1,2-benzoxazole
CID 105483617
3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride
CID 82021834
(3-acetyloxy-1-benzofuran-6-yl) acetate
CID 3787261
[3-(chloromethyl)-1-benzofuran-6-yl] acetate
CID 59577463
(4-oxochromen-7-yl) acetate
CID 20979816
3-(2-bromoethyl)-6-ethoxy-1,2-benzoxazole
CID 39097628
[3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-yl] furan-2-carboxylate
CID 29137223
(17-methoxycarbonyloxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl) acetate
CID 144582492
(3-ethyl-4-methyl-2-oxo-1H-quinolin-7-yl) acetate
CID 46907086
triphenylen-2-yl acetate;hydrochloride
CID 142787711
N-[3-(chloromethyl)-1,2-benzoxazol-6-yl]acetamide
CID 119084323

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-benzoxazol-6-yl) acetate?
The IUPAC name of (3-ethyl-1,2-benzoxazol-6-yl) acetate (CID 15563065) is (3-ethyl-1,2-benzoxazol-6-yl) acetate.
What is the SMILES notation for (3-ethyl-1,2-benzoxazol-6-yl) acetate?
The canonical SMILES for (3-ethyl-1,2-benzoxazol-6-yl) acetate is CCc1noc2cc(OC(C)=O)ccc12.
What is the InChIKey of (3-ethyl-1,2-benzoxazol-6-yl) acetate?
The InChIKey is NOPRGFZVRWXFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-10-9-5-4-8(14-7(2)13)6-11(9)15-12-10/h4-6H,3H2,1-2H3.
What are the key properties of (3-ethyl-1,2-benzoxazol-6-yl) acetate?
(3-ethyl-1,2-benzoxazol-6-yl) acetate has a molecular weight of 205.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-benzoxazol-6-yl) acetate is sourced from PubChem (CID 15563065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).