N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide

C15H13N3O4S — CID 86266915

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccco3)sc3c2CCOC3)n1
InChIInChI=1S/C15H13N3O4S/c1-8-16-14(22-18-8)12-9-4-6-20-7-11(9)23-15(12)17-13(19)10-3-2-5-21-10/h2-3,5H,4,6-7H2,1H3,(H,17,19)
InChIKeyQWEOJMZRYNIOAM-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.02
Rot. Bonds3

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide (PubChem CID 86266915) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide
PubChem CID86266915
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccco3)sc3c2CCOC3)n1
InChIInChI=1S/C15H13N3O4S/c1-8-16-14(22-18-8)12-9-4-6-20-7-11(9)23-15(12)17-13(19)10-3-2-5-21-10/h2-3,5H,4,6-7H2,1H3,(H,17,19)
InChIKeyQWEOJMZRYNIOAM-UHFFFAOYSA-N
XLogP3.02
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide (CID 86266915) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide is Cc1noc(-c2c(NC(=O)c3ccco3)sc3c2CCOC3)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide?
The InChIKey is QWEOJMZRYNIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-8-16-14(22-18-8)12-9-4-6-20-7-11(9)23-15(12)17-13(19)10-3-2-5-21-10/h2-3,5H,4,6-7H2,1H3,(H,17,19).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 3.02, 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)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86266915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).