N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide

C17H11N3O4S — CID 91814330

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C17H11N3O4S/c1-9-18-16(24-20-9)11-6-7-25-17(11)19-15(22)14-8-12(21)10-4-2-3-5-13(10)23-14/h2-8H,1H3,(H,19,22)
InChIKeyPFHCXAYJAVFFGO-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.47
Rot. Bonds3

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 91814330) has the molecular formula C17H11N3O4S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide
PubChem CID91814330
Molecular FormulaC17H11N3O4S
Molecular Weight353.36 g/mol
Exact Mass353.05
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C17H11N3O4S/c1-9-18-16(24-20-9)11-6-7-25-17(11)19-15(22)14-8-12(21)10-4-2-3-5-13(10)23-14/h2-8H,1H3,(H,19,22)
InChIKeyPFHCXAYJAVFFGO-UHFFFAOYSA-N
XLogP3.47
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-fluorophenoxy)acetamide
CID 76150370
N-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl)-2-(o-tolyloxy)acetamide
CID 73167768
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-methoxybenzamide
CID 76147143
2-(3-{[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)-4H-chromen-4-one
CID 76151945
2-((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)acetamide
CID 86264842
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 86264861
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-oxo-4H-chromene-2-carboxamide
CID 90607981
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-methoxybenzamide
CID 76150367
2-(2-fluorophenoxy)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)acetamide
CID 86264855
2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331461
N-[4,5-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-2-(4-fluorophenoxy)acetamide
CID 39868352

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide (CID 91814330) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide is Cc1noc(-c2ccsc2NC(=O)c2cc(=O)c3ccccc3o2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide?
The InChIKey is PFHCXAYJAVFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S/c1-9-18-16(24-20-9)11-6-7-25-17(11)19-15(22)14-8-12(21)10-4-2-3-5-13(10)23-14/h2-8H,1H3,(H,19,22).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 91814330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).