N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide

C19H23N5O2S — CID 177381756

IUPACN-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2N)no1
InChIInChI=1S/C19H23N5O2S/c1-4-9-21-12(3)18(25)22-15-11(2)10-27-16(15)19-23-17(24-26-19)13-7-5-6-8-14(13)20/h5-8,10,12,21H,4,9,20H2,1-3H3,(H,22,25)
InChIKeyRUEBINIIYPEXAU-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.68
Rot. Bonds7

About N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide

N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide (PubChem CID 177381756) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide.

Molecular Properties

Compound NameN-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide
PubChem CID177381756
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2N)no1
InChIInChI=1S/C19H23N5O2S/c1-4-9-21-12(3)18(25)22-15-11(2)10-27-16(15)19-23-17(24-26-19)13-7-5-6-8-14(13)20/h5-8,10,12,21H,4,9,20H2,1-3H3,(H,22,25)
InChIKeyRUEBINIIYPEXAU-UHFFFAOYSA-N
XLogP3.68
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide?
The IUPAC name of N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide (CID 177381756) is N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide.
What is the SMILES notation for N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide?
The canonical SMILES for N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide is CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2N)no1.
What is the InChIKey of N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide?
The InChIKey is RUEBINIIYPEXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-4-9-21-12(3)18(25)22-15-11(2)10-27-16(15)19-23-17(24-26-19)13-7-5-6-8-14(13)20/h5-8,10,12,21H,4,9,20H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide?
N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide has a molecular weight of 385.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-yl]-2-(propylamino)propanamide is sourced from PubChem (CID 177381756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).