2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide

C9H7ClN2O2S — CID 755205

IUPAC2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C9H7ClN2O2S/c10-5-1-2-7-6(3-5)12-9(14-7)15-4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKeyKUDPLUQTOMECQT-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.06
Rot. Bonds3

About 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 755205) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide
PubChem CID755205
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C9H7ClN2O2S/c10-5-1-2-7-6(3-5)12-9(14-7)15-4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKeyKUDPLUQTOMECQT-UHFFFAOYSA-N
XLogP2.06
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 755205) is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide is NC(=O)CSc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The InChIKey is KUDPLUQTOMECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-5-1-2-7-6(3-5)12-9(14-7)15-4-8(11)13/h1-3H,4H2,(H2,11,13).
What are the key properties of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 242.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 755205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).