N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide

C18H16N2O2S — CID 4789558

IUPACN-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O2S/c1-13(21)20-15-7-9-16(10-8-15)23-12-18-19-11-17(22-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyDYBUCUJMJZSHFV-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.59
Rot. Bonds5

About N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide

N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 4789558) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
PubChem CID4789558
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O2S/c1-13(21)20-15-7-9-16(10-8-15)23-12-18-19-11-17(22-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyDYBUCUJMJZSHFV-UHFFFAOYSA-N
XLogP4.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide (CID 4789558) is N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is DYBUCUJMJZSHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13(21)20-15-7-9-16(10-8-15)23-12-18-19-11-17(22-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide?
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 4789558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).