ethyl 6-chloro-1,2-benzoxazole-3-carboxylate

C10H8ClNO3 — CID 10823088

IUPACethyl 6-chloro-1,2-benzoxazole-3-carboxylate
SMILESCCOC(=O)c1noc2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNO3/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2H2,1H3
InChIKeyWGDNTQKMDOWYMD-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.66
Rot. Bonds2

About ethyl 6-chloro-1,2-benzoxazole-3-carboxylate

ethyl 6-chloro-1,2-benzoxazole-3-carboxylate (PubChem CID 10823088) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is ethyl 6-chloro-1,2-benzoxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1,2-benzoxazole-3-carboxylate
PubChem CID10823088
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Nameethyl 6-chloro-1,2-benzoxazole-3-carboxylate
SMILESCCOC(=O)c1noc2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNO3/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2H2,1H3
InChIKeyWGDNTQKMDOWYMD-UHFFFAOYSA-N
XLogP2.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-chloro-1,2-benzoxazole-3-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

ethyl 6-nitro-1,2-benzoxazole-3-carboxylate
CID 66702624
ethyl 5-methyl-1,2-benzoxazole-3-carboxylate
CID 118564146
6-chloro-1,2-benzoxazole-3-carboxamide;3-methylheptane
CID 67408052
ethyl 6-chloro-3-iodo-1-benzofuran-2-carboxylate
CID 168780929
ethyl 7-chloro-4-hydroxy-2-oxochromene-3-carboxylate
CID 54734584
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(2-amino-4-chlorobenzoyl)-2H-triazole-4-carboxylate
CID 18358857
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1,2-benzoxazole-3-carboxylate?
The IUPAC name of ethyl 6-chloro-1,2-benzoxazole-3-carboxylate (CID 10823088) is ethyl 6-chloro-1,2-benzoxazole-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1,2-benzoxazole-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-1,2-benzoxazole-3-carboxylate is CCOC(=O)c1noc2cc(Cl)ccc12.
What is the InChIKey of ethyl 6-chloro-1,2-benzoxazole-3-carboxylate?
The InChIKey is WGDNTQKMDOWYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-chloro-1,2-benzoxazole-3-carboxylate?
ethyl 6-chloro-1,2-benzoxazole-3-carboxylate has a molecular weight of 225.63 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1,2-benzoxazole-3-carboxylate is sourced from PubChem (CID 10823088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).