2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C14H11ClN2O3S — CID 5230767

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1cccs1
InChIInChI=1S/C14H11ClN2O3S/c15-9-3-4-11-12(6-9)20-14(19)17(11)8-13(18)16-7-10-2-1-5-21-10/h1-6H,7-8H2,(H,16,18)
InChIKeyVBLZCIHUSRLDLB-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.63
Rot. Bonds4

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5230767) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5230767
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1cccs1
InChIInChI=1S/C14H11ClN2O3S/c15-9-3-4-11-12(6-9)20-14(19)17(11)8-13(18)16-7-10-2-1-5-21-10/h1-6H,7-8H2,(H,16,18)
InChIKeyVBLZCIHUSRLDLB-UHFFFAOYSA-N
XLogP2.63
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 5230767) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1cccs1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VBLZCIHUSRLDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-9-3-4-11-12(6-9)20-14(19)17(11)8-13(18)16-7-10-2-1-5-21-10/h1-6H,7-8H2,(H,16,18).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 322.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5230767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).