ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate

C11H10ClNO3 — CID 894114

IUPACethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C11H10ClNO3/c1-2-15-11(14)6-10-13-8-5-7(12)3-4-9(8)16-10/h3-5H,2,6H2,1H3
InChIKeyLIDLQLJDBGDIFT-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate

ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate (PubChem CID 894114) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate
PubChem CID894114
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Nameethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C11H10ClNO3/c1-2-15-11(14)6-10-13-8-5-7(12)3-4-9(8)16-10/h3-5H,2,6H2,1H3
InChIKeyLIDLQLJDBGDIFT-UHFFFAOYSA-N
XLogP2.59
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylbenzoxazole
CID 7225
5-Chloro-2-methylbenzoxazole
CID 29510
5-Chlorobenzoxazole
CID 28398
Benzoxazole, 2-ethyl-
CID 23239
Benzoxazole, 5-chloro-2-phenyl-
CID 773072
(2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 6193964
5-Chloro-2-(4-methylphenyl)-1,3-benzoxazole
CID 1331638
5-(5-Chloro-1,3-benzoxazol-2-yl)-1,3,4-oxadiazol-2(3H)-one
CID 13094303
Benzoxazole, 5-chloro-2-methylthio-
CID 46398
o-(5-Chloro-2-benzoxazolyl)phenol
CID 99231
Acetamide, N-(5-chloro-2-benzoxazolyl)-
CID 215489
(1,3-Benzoxazol-2-yl)acetic acid
CID 954457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate (CID 894114) is ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate is CCOC(=O)Cc1nc2cc(Cl)ccc2o1.
What is the InChIKey of ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate?
The InChIKey is LIDLQLJDBGDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-2-15-11(14)6-10-13-8-5-7(12)3-4-9(8)16-10/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate?
ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate has a molecular weight of 239.66 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate is sourced from PubChem (CID 894114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).