2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide

C16H20ClN3O3S — CID 60540970

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSCc1nc(C(C)(C)C)no1
InChIInChI=1S/C16H20ClN3O3S/c1-16(2,3)15-19-14(23-20-15)9-24-8-13(21)18-11-7-10(17)5-6-12(11)22-4/h5-7H,8-9H2,1-4H3,(H,18,21)
InChIKeyZUUFTAQJZSMYHA-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.90
Rot. Bonds6

About 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 60540970) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID60540970
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSCc1nc(C(C)(C)C)no1
InChIInChI=1S/C16H20ClN3O3S/c1-16(2,3)15-19-14(23-20-15)9-24-8-13(21)18-11-7-10(17)5-6-12(11)22-4/h5-7H,8-9H2,1-4H3,(H,18,21)
InChIKeyZUUFTAQJZSMYHA-UHFFFAOYSA-N
XLogP3.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912675
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001782
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 102629880
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
3-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914076
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982322
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 60540970) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CSCc1nc(C(C)(C)C)no1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ZUUFTAQJZSMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-16(2,3)15-19-14(23-20-15)9-24-8-13(21)18-11-7-10(17)5-6-12(11)22-4/h5-7H,8-9H2,1-4H3,(H,18,21).
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 369.87 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 60540970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).