N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide

C19H22N4O2S — CID 177381755

IUPACN-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H22N4O2S/c1-4-10-20-13(3)18(24)21-15-12(2)11-26-16(15)19-22-17(23-25-19)14-8-6-5-7-9-14/h5-9,11,13,20H,4,10H2,1-3H3,(H,21,24)
InChIKeyQUVWIPWKEWECPJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.10
Rot. Bonds7

About N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide

N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide (PubChem CID 177381755) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide.

Molecular Properties

Compound NameN-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide
PubChem CID177381755
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H22N4O2S/c1-4-10-20-13(3)18(24)21-15-12(2)11-26-16(15)19-22-17(23-25-19)14-8-6-5-7-9-14/h5-9,11,13,20H,4,10H2,1-3H3,(H,21,24)
InChIKeyQUVWIPWKEWECPJ-UHFFFAOYSA-N
XLogP4.10
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide?
The IUPAC name of N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide (CID 177381755) is N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide.
What is the SMILES notation for N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide?
The canonical SMILES for N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide is CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide?
The InChIKey is QUVWIPWKEWECPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-4-10-20-13(3)18(24)21-15-12(2)11-26-16(15)19-22-17(23-25-19)14-8-6-5-7-9-14/h5-9,11,13,20H,4,10H2,1-3H3,(H,21,24).
What are the key properties of N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide?
N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide has a molecular weight of 370.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(propylamino)propanamide is sourced from PubChem (CID 177381755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).