(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate

C19H13N3O4S2 — CID 55471409

IUPAC(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCc1nc(-c2cccs2)no1)c1ccsc1
InChIInChI=1S/C19H13N3O4S2/c23-18(12-7-9-27-11-12)20-14-5-2-1-4-13(14)19(24)25-10-16-21-17(22-26-16)15-6-3-8-28-15/h1-9,11H,10H2,(H,20,23)
InChIKeySRSRGRAARKIEIE-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.47
Rot. Bonds6

About (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate

(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate (PubChem CID 55471409) has the molecular formula C19H13N3O4S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate.

Molecular Properties

Compound Name(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate
PubChem CID55471409
Molecular FormulaC19H13N3O4S2
Molecular Weight411.46 g/mol
Exact Mass411.03
IUPAC Name(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCc1nc(-c2cccs2)no1)c1ccsc1
InChIInChI=1S/C19H13N3O4S2/c23-18(12-7-9-27-11-12)20-14-5-2-1-4-13(14)19(24)25-10-16-21-17(22-26-16)15-6-3-8-28-15/h1-9,11H,10H2,(H,20,23)
InChIKeySRSRGRAARKIEIE-UHFFFAOYSA-N
XLogP4.47
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 5-chloro-2-hydroxybenzoate
CID 18171316
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-amino-5-chlorobenzoate
CID 18138336
(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate
CID 9452238
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 90563812
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfanylbenzoate
CID 8508147
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8977238
4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563793
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30926063
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563709

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate?
The IUPAC name of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate (CID 55471409) is (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate.
What is the SMILES notation for (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate?
The canonical SMILES for (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate is O=C(Nc1ccccc1C(=O)OCc1nc(-c2cccs2)no1)c1ccsc1.
What is the InChIKey of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate?
The InChIKey is SRSRGRAARKIEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S2/c23-18(12-7-9-27-11-12)20-14-5-2-1-4-13(14)19(24)25-10-16-21-17(22-26-16)15-6-3-8-28-15/h1-9,11H,10H2,(H,20,23).
What are the key properties of (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate?
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate has a molecular weight of 411.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate is sourced from PubChem (CID 55471409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).