N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide

C18H12N4O3 — CID 5306877

IUPACN-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(-c3ccccn3)n2)c1)c1ccco1
InChIInChI=1S/C18H12N4O3/c23-17(15-8-4-10-24-15)20-13-6-3-5-12(11-13)16-21-18(25-22-16)14-7-1-2-9-19-14/h1-11H,(H,20,23)
InChIKeyDNZZZOTWLDNVRS-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.64
Rot. Bonds4

About N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide

N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide (PubChem CID 5306877) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
PubChem CID5306877
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC NameN-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(-c3ccccn3)n2)c1)c1ccco1
InChIInChI=1S/C18H12N4O3/c23-17(15-8-4-10-24-15)20-13-6-3-5-12(11-13)16-21-18(25-22-16)14-7-1-2-9-19-14/h1-11H,(H,20,23)
InChIKeyDNZZZOTWLDNVRS-UHFFFAOYSA-N
XLogP3.64
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide (CID 5306877) is N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2noc(-c3ccccn3)n2)c1)c1ccco1.
What is the InChIKey of N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is DNZZZOTWLDNVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-17(15-8-4-10-24-15)20-13-6-3-5-12(11-13)16-21-18(25-22-16)14-7-1-2-9-19-14/h1-11H,(H,20,23).
What are the key properties of N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5306877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).