N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide

C15H14N4O4 — CID 2971052

IUPACN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c2nonc12)c1ccco1
InChIInChI=1S/C15H14N4O4/c20-15(12-2-1-7-22-12)16-10-3-4-11(14-13(10)17-23-18-14)19-5-8-21-9-6-19/h1-4,7H,5-6,8-9H2,(H,16,20)
InChIKeyBCVWGDCSBGPLFU-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.90
Rot. Bonds3

About N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide

N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide (PubChem CID 2971052) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide
PubChem CID2971052
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c2nonc12)c1ccco1
InChIInChI=1S/C15H14N4O4/c20-15(12-2-1-7-22-12)16-10-3-4-11(14-13(10)17-23-18-14)19-5-8-21-9-6-19/h1-4,7H,5-6,8-9H2,(H,16,20)
InChIKeyBCVWGDCSBGPLFU-UHFFFAOYSA-N
XLogP1.90
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide (CID 2971052) is N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1ccco1.
What is the InChIKey of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide?
The InChIKey is BCVWGDCSBGPLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c20-15(12-2-1-7-22-12)16-10-3-4-11(14-13(10)17-23-18-14)19-5-8-21-9-6-19/h1-4,7H,5-6,8-9H2,(H,16,20).
What are the key properties of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide?
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)furan-2-carboxamide is sourced from PubChem (CID 2971052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).