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

C16H14ClN5O4S — CID 25284400

IUPACN-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O4S/c17-10-1-3-11(4-2-10)18-13(24)9-27-16-21-20-14(26-16)6-8-22-7-5-12(23)19-15(22)25/h1-5,7H,6,8-9H2,(H,18,24)(H,19,23,25)
InChIKeyODCQXSNCWXTTNE-UHFFFAOYSA-N
MW407.84 g/mol
LogP1.55
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 25284400) has the molecular formula C16H14ClN5O4S and a molecular weight of 407.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID25284400
Molecular FormulaC16H14ClN5O4S
Molecular Weight407.84 g/mol
Exact Mass407.05
IUPAC NameN-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O4S/c17-10-1-3-11(4-2-10)18-13(24)9-27-16-21-20-14(26-16)6-8-22-7-5-12(23)19-15(22)25/h1-5,7H,6,8-9H2,(H,18,24)(H,19,23,25)
InChIKeyODCQXSNCWXTTNE-UHFFFAOYSA-N
XLogP1.55
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25284388
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8708507
N-(4-chlorophenyl)-2-[[5-[(4-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1130152
N-(4-chlorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804689
N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 21215184
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43952745
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 126024127
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 102630125
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 52994583
N-[4-(4-chlorophenoxy)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3255852
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 126017225
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 25284400) is N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ODCQXSNCWXTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O4S/c17-10-1-3-11(4-2-10)18-13(24)9-27-16-21-20-14(26-16)6-8-22-7-5-12(23)19-15(22)25/h1-5,7H,6,8-9H2,(H,18,24)(H,19,23,25).
What are the key properties of N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 407.84 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 25284400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).