(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

C16H15N3O5S — CID 9396693

IUPAC(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESCC(=O)Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)cs1
InChIInChI=1S/C16H15N3O5S/c1-10(20)17-15-18-11(9-25-15)8-23-14(21)6-7-19-12-4-2-3-5-13(12)24-16(19)22/h2-5,9H,6-8H2,1H3,(H,17,18,20)
InChIKeySDTQTSJTZYRJSM-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.14
Rot. Bonds6

About (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (PubChem CID 9396693) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Name(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
PubChem CID9396693
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESCC(=O)Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)cs1
InChIInChI=1S/C16H15N3O5S/c1-10(20)17-15-18-11(9-25-15)8-23-14(21)6-7-19-12-4-2-3-5-13(12)24-16(19)22/h2-5,9H,6-8H2,1H3,(H,17,18,20)
InChIKeySDTQTSJTZYRJSM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CID 9396693) is (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
What is the SMILES notation for (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The canonical SMILES for (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is CC(=O)Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)cs1.
What is the InChIKey of (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The InChIKey is SDTQTSJTZYRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-10(20)17-15-18-11(9-25-15)8-23-14(21)6-7-19-12-4-2-3-5-13(12)24-16(19)22/h2-5,9H,6-8H2,1H3,(H,17,18,20).
What are the key properties of (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate has a molecular weight of 361.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 9396693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).