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

C18H11ClN4O4 — CID 4172136

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H11ClN4O4/c19-11-7-5-10(6-8-11)15-21-22-18(27-15)20-14(24)9-23-16(25)12-3-1-2-4-13(12)17(23)26/h1-8H,9H2,(H,20,22,24)
InChIKeyMSYPKTGCCQJMIF-UHFFFAOYSA-N
MW382.76 g/mol
LogP2.62
Rot. Bonds4

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 4172136) has the molecular formula C18H11ClN4O4 and a molecular weight of 382.76 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID4172136
Molecular FormulaC18H11ClN4O4
Molecular Weight382.76 g/mol
Exact Mass382.05
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H11ClN4O4/c19-11-7-5-10(6-8-11)15-21-22-18(27-15)20-14(24)9-23-16(25)12-3-1-2-4-13(12)17(23)26/h1-8H,9H2,(H,20,22,24)
InChIKeyMSYPKTGCCQJMIF-UHFFFAOYSA-N
XLogP2.62
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.76
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16821605
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7577904
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4189128
2-(1,3-dioxoisoindol-2-yl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861308
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951211
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 3633508
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 4813620
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 24854250
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-chlorobenzoate
CID 7797205

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 4172136) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is MSYPKTGCCQJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O4/c19-11-7-5-10(6-8-11)15-21-22-18(27-15)20-14(24)9-23-16(25)12-3-1-2-4-13(12)17(23)26/h1-8H,9H2,(H,20,22,24).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 382.76 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 4172136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).