ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C16H15N3O5S — CID 4243870

IUPACethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C16H15N3O5S/c1-2-23-14(21)7-10-9-25-15(17-10)18-13(20)8-19-11-5-3-4-6-12(11)24-16(19)22/h3-6,9H,2,7-8H2,1H3,(H,17,18,20)
InChIKeyTZXXVZHJSPFBOX-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.80
Rot. Bonds6

About ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 4243870) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID4243870
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Nameethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C16H15N3O5S/c1-2-23-14(21)7-10-9-25-15(17-10)18-13(20)8-19-11-5-3-4-6-12(11)24-16(19)22/h3-6,9H,2,7-8H2,1H3,(H,17,18,20)
InChIKeyTZXXVZHJSPFBOX-UHFFFAOYSA-N
XLogP1.80
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 4243870) is ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1.
What is the InChIKey of ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is TZXXVZHJSPFBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-2-23-14(21)7-10-9-25-15(17-10)18-13(20)8-19-11-5-3-4-6-12(11)24-16(19)22/h3-6,9H,2,7-8H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 361.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 4243870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).