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

C22H16N6O3 — CID 53178560

IUPACN-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C22H16N6O3/c29-21(24-12-16-8-5-11-30-16)18-13-28(14-25-18)20-17(9-4-10-23-20)22-26-19(27-31-22)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,24,29)
InChIKeyCXHNQTIJLNIAPC-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.51
Rot. Bonds6

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

N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178560) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178560
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC NameN-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C22H16N6O3/c29-21(24-12-16-8-5-11-30-16)18-13-28(14-25-18)20-17(9-4-10-23-20)22-26-19(27-31-22)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,24,29)
InChIKeyCXHNQTIJLNIAPC-UHFFFAOYSA-N
XLogP3.51
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178560) is N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is O=C(NCc1ccco1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is CXHNQTIJLNIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c29-21(24-12-16-8-5-11-30-16)18-13-28(14-25-18)20-17(9-4-10-23-20)22-26-19(27-31-22)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,24,29).
What are the key properties of N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).