2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C11H8ClN5O3 — CID 156601519

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ncn[nH]1
InChIInChI=1S/C11H8ClN5O3/c12-6-1-2-7-8(3-6)20-11(19)17(7)4-9(18)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,18)
InChIKeyZCCBJEIFSLGJDY-UHFFFAOYSA-N
MW293.67 g/mol
LogP1.00
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 156601519) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID156601519
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ncn[nH]1
InChIInChI=1S/C11H8ClN5O3/c12-6-1-2-7-8(3-6)20-11(19)17(7)4-9(18)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,18)
InChIKeyZCCBJEIFSLGJDY-UHFFFAOYSA-N
XLogP1.00
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 156601519) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ncn[nH]1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ZCCBJEIFSLGJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O3/c12-6-1-2-7-8(3-6)20-11(19)17(7)4-9(18)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,18).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 293.67 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 156601519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).