ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate

C17H13Cl2NO3 — CID 50850175

IUPACethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C17H13Cl2NO3/c1-2-22-15(21)7-10-3-5-11(6-4-10)17-20-14-9-12(18)8-13(19)16(14)23-17/h3-6,8-9H,2,7H2,1H3
InChIKeyKOEBITUWTGJSAU-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.91
Rot. Bonds4

About ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate

ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate (PubChem CID 50850175) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate
PubChem CID50850175
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Nameethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C17H13Cl2NO3/c1-2-22-15(21)7-10-3-5-11(6-4-10)17-20-14-9-12(18)8-13(19)16(14)23-17/h3-6,8-9H,2,7H2,1H3
InChIKeyKOEBITUWTGJSAU-UHFFFAOYSA-N
XLogP4.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[6-(4-chlorophenyl)sulfinyl-1,3-benzoxazol-2-yl]phenyl]acetate
CID 142715967
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
CID 136658117
N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
CID 2273317
methyl 2-chloro-4-(5,7-dichloro-1,3-benzoxazol-2-yl)benzoate
CID 50850835
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
N-[[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 2282337
methyl 4-(5-amino-7-chloro-1,3-benzoxazol-2-yl)benzoate
CID 1100880
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308576
ethyl 2-[2-chloro-4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]acetate
CID 50850782
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate (CID 50850175) is ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate is CCOC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate?
The InChIKey is KOEBITUWTGJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-2-22-15(21)7-10-3-5-11(6-4-10)17-20-14-9-12(18)8-13(19)16(14)23-17/h3-6,8-9H,2,7H2,1H3.
What are the key properties of ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate?
ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate has a molecular weight of 350.20 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate is sourced from PubChem (CID 50850175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).