N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide

C19H21N3O3S — CID 53119566

IUPACN-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(-c2noc(-c3ccc(C)cc3)n2)s1
InChIInChI=1S/C19H21N3O3S/c1-3-24-12-4-11-20-18(23)16-10-9-15(26-16)17-21-19(25-22-17)14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,23)
InChIKeyRSZYMTYUDDCSBE-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.93
Rot. Bonds8

About N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide

N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide (PubChem CID 53119566) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
PubChem CID53119566
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(-c2noc(-c3ccc(C)cc3)n2)s1
InChIInChI=1S/C19H21N3O3S/c1-3-24-12-4-11-20-18(23)16-10-9-15(26-16)17-21-19(25-22-17)14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,23)
InChIKeyRSZYMTYUDDCSBE-UHFFFAOYSA-N
XLogP3.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
5-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 53119651
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53119582
N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119639
N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119647
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
N-(3-ethoxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489886
5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide
CID 53119527
N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 95089083
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide (CID 53119566) is N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide is CCOCCCNC(=O)c1ccc(-c2noc(-c3ccc(C)cc3)n2)s1.
What is the InChIKey of N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
The InChIKey is RSZYMTYUDDCSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-24-12-4-11-20-18(23)16-10-9-15(26-16)17-21-19(25-22-17)14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53119566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).