2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C20H19ClN2O3S — CID 166198972

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN2O3S/c1-13(16-5-3-4-6-17(16)25-2)23-19(24)12-27-20-22-11-18(26-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyFBNQRJIPHZGFCI-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.97
Rot. Bonds7

About 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 166198972) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID166198972
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN2O3S/c1-13(16-5-3-4-6-17(16)25-2)23-19(24)12-27-20-22-11-18(26-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyFBNQRJIPHZGFCI-UHFFFAOYSA-N
XLogP4.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50773491
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 50773707
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50773812
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 94799042
ethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetate
CID 165346345
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 41030207
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 166198972) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is FBNQRJIPHZGFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-13(16-5-3-4-6-17(16)25-2)23-19(24)12-27-20-22-11-18(26-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 402.90 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 166198972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).