2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C17H14N2O2S — CID 776898

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2S/c18-14(20)11-22-17-19-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,20)
InChIKeyINHCQGHDHUOQIX-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.59
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 776898) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID776898
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2S/c18-14(20)11-22-17-19-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,20)
InChIKeyINHCQGHDHUOQIX-UHFFFAOYSA-N
XLogP3.59
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 776898) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is INHCQGHDHUOQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c18-14(20)11-22-17-19-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,20).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 776898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).