1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide

C20H17FN6O2 — CID 53490037

IUPAC1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3F)c2)n1
InChIInChI=1S/C20H17FN6O2/c1-2-17-25-20(29-26-17)14-7-5-9-22-18(14)27-11-16(24-12-27)19(28)23-10-13-6-3-4-8-15(13)21/h3-9,11-12H,2,10H2,1H3,(H,23,28)
InChIKeyBBKQLBBZLXGOOD-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.95
Rot. Bonds6

About 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide

1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 53490037) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID53490037
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3F)c2)n1
InChIInChI=1S/C20H17FN6O2/c1-2-17-25-20(29-26-17)14-7-5-9-22-18(14)27-11-16(24-12-27)19(28)23-10-13-6-3-4-8-15(13)21/h3-9,11-12H,2,10H2,1H3,(H,23,28)
InChIKeyBBKQLBBZLXGOOD-UHFFFAOYSA-N
XLogP2.95
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide (CID 53490037) is 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide is CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3F)c2)n1.
What is the InChIKey of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is BBKQLBBZLXGOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-2-17-25-20(29-26-17)14-7-5-9-22-18(14)27-11-16(24-12-27)19(28)23-10-13-6-3-4-8-15(13)21/h3-9,11-12H,2,10H2,1H3,(H,23,28).
What are the key properties of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53490037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).