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

C15H16N2O3S — CID 9457421

IUPACN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-10(2)20-15(16-9)21-8-14(19)12-4-6-13(7-5-12)17-11(3)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyNJCCHUCQRXPHES-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.22
Rot. Bonds5

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

N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide (PubChem CID 9457421) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
PubChem CID9457421
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-10(2)20-15(16-9)21-8-14(19)12-4-6-13(7-5-12)17-11(3)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyNJCCHUCQRXPHES-UHFFFAOYSA-N
XLogP3.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.22
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]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide (CID 9457421) is N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1.
What is the InChIKey of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is NJCCHUCQRXPHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-10(2)20-15(16-9)21-8-14(19)12-4-6-13(7-5-12)17-11(3)18/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 3.22, 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]acetyl]phenyl]acetamide is sourced from PubChem (CID 9457421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).