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

C19H17ClN2O3S — CID 50773707

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-24-16-8-2-13(3-9-16)10-21-18(23)12-26-19-22-11-17(25-19)14-4-6-15(20)7-5-14/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeySOHSCCJTWOCPIN-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.41
Rot. Bonds7

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

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 50773707) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID50773707
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-24-16-8-2-13(3-9-16)10-21-18(23)12-26-19-22-11-17(25-19)14-4-6-15(20)7-5-14/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeySOHSCCJTWOCPIN-UHFFFAOYSA-N
XLogP4.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[1-(2-methoxyphenyl)ethyl]acetamide
CID 166198972
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17464976
ethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetate
CID 165346345
N-[(3-chlorophenyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7240897
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9165928
2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 35774174
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 18569168
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50773812
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 50773475

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 50773707) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is SOHSCCJTWOCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-24-16-8-2-13(3-9-16)10-21-18(23)12-26-19-22-11-17(25-19)14-4-6-15(20)7-5-14/h2-9,11H,10,12H2,1H3,(H,21,23).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 388.88 g/mol, XLogP of 4.41, 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 50773707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).