N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C21H25N3O3S — CID 162676758

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C(C)C)cc1
InChIInChI=1S/C21H25N3O3S/c1-4-6-16-8-10-17(11-9-16)26-14-20(25)24(15(2)3)13-19-22-21(23-27-19)18-7-5-12-28-18/h5,7-12,15H,4,6,13-14H2,1-3H3
InChIKeySAVRGLAAQOGZME-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.57
Rot. Bonds9

About N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 162676758) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID162676758
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C(C)C)cc1
InChIInChI=1S/C21H25N3O3S/c1-4-6-16-8-10-17(11-9-16)26-14-20(25)24(15(2)3)13-19-22-21(23-27-19)18-7-5-12-28-18/h5,7-12,15H,4,6,13-14H2,1-3H3
InChIKeySAVRGLAAQOGZME-UHFFFAOYSA-N
XLogP4.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 162676758) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is SAVRGLAAQOGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-4-6-16-8-10-17(11-9-16)26-14-20(25)24(15(2)3)13-19-22-21(23-27-19)18-7-5-12-28-18/h5,7-12,15H,4,6,13-14H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 162676758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).