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

C16H18N2O3S — CID 78837118

IUPACN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2nc(C)c(C)o2)cc1
InChIInChI=1S/C16H18N2O3S/c1-9-10(2)21-16(17-9)22-11(3)15(20)13-5-7-14(8-6-13)18-12(4)19/h5-8,11H,1-4H3,(H,18,19)
InChIKeyFGQXYQIZCANUOC-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.61
Rot. Bonds5

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

N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide (PubChem CID 78837118) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
PubChem CID78837118
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2nc(C)c(C)o2)cc1
InChIInChI=1S/C16H18N2O3S/c1-9-10(2)21-16(17-9)22-11(3)15(20)13-5-7-14(8-6-13)18-12(4)19/h5-8,11H,1-4H3,(H,18,19)
InChIKeyFGQXYQIZCANUOC-UHFFFAOYSA-N
XLogP3.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide (CID 78837118) is N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)Sc2nc(C)c(C)o2)cc1.
What is the InChIKey of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
The InChIKey is FGQXYQIZCANUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-9-10(2)21-16(17-9)22-11(3)15(20)13-5-7-14(8-6-13)18-12(4)19/h5-8,11H,1-4H3,(H,18,19).
What are the key properties of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide is sourced from PubChem (CID 78837118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).