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

C18H15ClN2O2S — CID 8819518

IUPACN-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-12(22)21-15-6-8-16(9-7-15)24-11-18-20-10-17(23-18)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOTSBRCDJOIVERA-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.25
Rot. Bonds5

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

N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide (PubChem CID 8819518) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide
PubChem CID8819518
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-12(22)21-15-6-8-16(9-7-15)24-11-18-20-10-17(23-18)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOTSBRCDJOIVERA-UHFFFAOYSA-N
XLogP5.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301714
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]acetamide
CID 9353806
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]butan-1-ol
CID 65416210
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
CID 17450235
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682966
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide (CID 8819518) is N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide?
The InChIKey is OTSBRCDJOIVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-12(22)21-15-6-8-16(9-7-15)24-11-18-20-10-17(23-18)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide?
N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide has a molecular weight of 358.85 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 8819518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).