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

C20H22N4O3S — CID 53013333

IUPAC5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2nc(-c3ccc(C(=O)NCCN4CCOCC4)s3)no2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-2-4-15(5-3-14)20-22-18(23-27-20)16-6-7-17(28-16)19(25)21-8-9-24-10-12-26-13-11-24/h2-7H,8-13H2,1H3,(H,21,25)
InChIKeyNHZLSDSLQZBQLG-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.84
Rot. Bonds6

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

5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 53013333) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID53013333
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2nc(-c3ccc(C(=O)NCCN4CCOCC4)s3)no2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-2-4-15(5-3-14)20-22-18(23-27-20)16-6-7-17(28-16)19(25)21-8-9-24-10-12-26-13-11-24/h2-7H,8-13H2,1H3,(H,21,25)
InChIKeyNHZLSDSLQZBQLG-UHFFFAOYSA-N
XLogP2.84
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 53119566
N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119639
5-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 53119651
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 53052780
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53119582
morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
CID 53119621
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 6402552

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 53013333) is 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is Cc1ccc(-c2nc(-c3ccc(C(=O)NCCN4CCOCC4)s3)no2)cc1.
What is the InChIKey of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is NHZLSDSLQZBQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-2-4-15(5-3-14)20-22-18(23-27-20)16-6-7-17(28-16)19(25)21-8-9-24-10-12-26-13-11-24/h2-7H,8-13H2,1H3,(H,21,25).
What are the key properties of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53013333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).