N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide

C19H22N4O2S — CID 46203950

IUPACN-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESNc1ccccc1NC(=O)CCCCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H22N4O2S/c20-14-8-5-6-9-15(14)21-17(24)11-3-1-2-4-12-18-22-19(23-25-18)16-10-7-13-26-16/h5-10,13H,1-4,11-12,20H2,(H,21,24)
InChIKeyJRPMXODVZZRHCI-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.51
Rot. Bonds9

About N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide

N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide (PubChem CID 46203950) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide
PubChem CID46203950
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESNc1ccccc1NC(=O)CCCCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H22N4O2S/c20-14-8-5-6-9-15(14)21-17(24)11-3-1-2-4-12-18-22-19(23-25-18)16-10-7-13-26-16/h5-10,13H,1-4,11-12,20H2,(H,21,24)
InChIKeyJRPMXODVZZRHCI-UHFFFAOYSA-N
XLogP4.51
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide?
The IUPAC name of N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide (CID 46203950) is N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide.
What is the SMILES notation for N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide?
The canonical SMILES for N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide is Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccs2)no1.
What is the InChIKey of N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide?
The InChIKey is JRPMXODVZZRHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c20-14-8-5-6-9-15(14)21-17(24)11-3-1-2-4-12-18-22-19(23-25-18)16-10-7-13-26-16/h5-10,13H,1-4,11-12,20H2,(H,21,24).
What are the key properties of N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide?
N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide has a molecular weight of 370.48 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide is sourced from PubChem (CID 46203950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).