ethyl 1,3-benzoxazole-4-carboxylate

C10H9NO3 — CID 131699993

IUPACethyl 1,3-benzoxazole-4-carboxylate
SMILESCCOC(=O)c1cccc2ocnc12
InChIInChI=1S/C10H9NO3/c1-2-13-10(12)7-4-3-5-8-9(7)11-6-14-8/h3-6H,2H2,1H3
InChIKeyFRNYYPSJQSOCOI-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.00
Rot. Bonds2

About ethyl 1,3-benzoxazole-4-carboxylate

ethyl 1,3-benzoxazole-4-carboxylate (PubChem CID 131699993) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl 1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-benzoxazole-4-carboxylate
PubChem CID131699993
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Nameethyl 1,3-benzoxazole-4-carboxylate
SMILESCCOC(=O)c1cccc2ocnc12
InChIInChI=1S/C10H9NO3/c1-2-13-10(12)7-4-3-5-8-9(7)11-6-14-8/h3-6H,2H2,1H3
InChIKeyFRNYYPSJQSOCOI-UHFFFAOYSA-N
XLogP2.00
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1,3-benzoxazole-4-carboxylate 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

diethyl phenazine-1,6-dicarboxylate
CID 71514835
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate
CID 23943725
ethyl 2-(chloromethyl)-1,3-benzoxazole-4-carboxylate
CID 131291047
[1-[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23744892
[1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23888336
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23859997
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
ethyl 4-methyl-1-benzofuran-3-carboxylate
CID 175669045
[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23859885
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-benzoxazole-4-carboxylate?
The IUPAC name of ethyl 1,3-benzoxazole-4-carboxylate (CID 131699993) is ethyl 1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for ethyl 1,3-benzoxazole-4-carboxylate?
The canonical SMILES for ethyl 1,3-benzoxazole-4-carboxylate is CCOC(=O)c1cccc2ocnc12.
What is the InChIKey of ethyl 1,3-benzoxazole-4-carboxylate?
The InChIKey is FRNYYPSJQSOCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-13-10(12)7-4-3-5-8-9(7)11-6-14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 1,3-benzoxazole-4-carboxylate?
ethyl 1,3-benzoxazole-4-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 131699993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).