2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide

C15H12N2O2S — CID 687333

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-20-15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)
InChIKeyYMSYXWPCDBRESY-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide (PubChem CID 687333) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide
PubChem CID687333
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-20-15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)
InChIKeyYMSYXWPCDBRESY-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylbenzoxazole
CID 7225
2-Chlorobenzoxazole
CID 11986
Benzoxazole, 2-phenyl-
CID 70030
2-(4-Nitro-benzylsulfanyl)-benzooxazole
CID 497456
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
L 696229
CID 72352
L 696040
CID 131887
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
Benzoxazole, 2-ethyl-
CID 23239
1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
2-(Methylthio)benzoxazole
CID 4178773
1,3-Benzoxazole-2-carbonitrile
CID 11147793

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide (CID 687333) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide is O=C(CSc1nc2ccccc2o1)Nc1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide?
The InChIKey is YMSYXWPCDBRESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-20-15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide is sourced from PubChem (CID 687333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).