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

C18H17N3O2S — CID 87045240

IUPACN-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccncc1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O2S/c22-17(13-24-12-14-6-8-19-9-7-14)20-11-18-21-10-16(23-18)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,20,22)
InChIKeyCPFSUSBMMDBAEO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.29
Rot. Bonds7

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

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 87045240) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID87045240
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccncc1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O2S/c22-17(13-24-12-14-6-8-19-9-7-14)20-11-18-21-10-16(23-18)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,20,22)
InChIKeyCPFSUSBMMDBAEO-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

OL-135
CID 10427006
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-hexylphenyl)heptane
CID 16735350
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(o-tolyl)heptane
CID 16735381
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(p-tolyl)heptane
CID 16735382
7-(4-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735384
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
6-(Phenylthio)-1-(5-(pyridin-2-yl)oxazol-2-yl)hexan-1-one
CID 16735835
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(phenylthio)phenyl)propane
CID 16736009
2-(4-Phenylbutylthio)-1-(5-(pyridin-2-yl)oxazol-2-yl)ethanone
CID 16736011
alpha-Ketooxazole, 12c
CID 16736012
3-[4-(Phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16736227

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 87045240) is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is O=C(CSCc1ccncc1)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is CPFSUSBMMDBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(13-24-12-14-6-8-19-9-7-14)20-11-18-21-10-16(23-18)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,20,22).
What are the key properties of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 87045240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).