5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole

C20H13F2N4O2+ — CID 91302359

IUPAC5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole
SMILESFc1cccc(-c2nc3cc[n+](Cc4cc(-c5ccco5)no4)cc3[nH]2)c1F
InChIInChI=1S/C20H12F2N4O2/c21-14-4-1-3-13(19(14)22)20-23-15-6-7-26(11-17(15)24-20)10-12-9-16(25-28-12)18-5-2-8-27-18/h1-9,11H,10H2/p+1
InChIKeyGEHPOVRWMNZPLK-UHFFFAOYSA-O
MW379.35 g/mol
LogP4.09
Rot. Bonds4

About 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole

5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole (PubChem CID 91302359) has the molecular formula C20H13F2N4O2+ and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole
PubChem CID91302359
Molecular FormulaC20H13F2N4O2+
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole
SMILESFc1cccc(-c2nc3cc[n+](Cc4cc(-c5ccco5)no4)cc3[nH]2)c1F
InChIInChI=1S/C20H12F2N4O2/c21-14-4-1-3-13(19(14)22)20-23-15-6-7-26(11-17(15)24-20)10-12-9-16(25-28-12)18-5-2-8-27-18/h1-9,11H,10H2/p+1
InChIKeyGEHPOVRWMNZPLK-UHFFFAOYSA-O
XLogP4.09
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
4-[7-(3-aminopropoxy)-1-ethyl-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 25023721
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
CID 134611728
9-[(2-Fluorophenyl)methyl]-6-(furan-2-yl)purin-2-amine
CID 9857814
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole (CID 91302359) is 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole is Fc1cccc(-c2nc3cc[n+](Cc4cc(-c5ccco5)no4)cc3[nH]2)c1F.
What is the InChIKey of 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole?
The InChIKey is GEHPOVRWMNZPLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H12F2N4O2/c21-14-4-1-3-13(19(14)22)20-23-15-6-7-26(11-17(15)24-20)10-12-9-16(25-28-12)18-5-2-8-27-18/h1-9,11H,10H2/p+1.
What are the key properties of 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole?
5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole has a molecular weight of 379.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 91302359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).