N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide

C21H21FN4O2 — CID 56759007

IUPACN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C1CCOCC1
InChIInChI=1S/C21H21FN4O2/c22-16-5-3-4-15(12-16)19-20(17-6-1-2-9-23-17)26-18(25-19)13-24-21(27)14-7-10-28-11-8-14/h1-6,9,12,14H,7-8,10-11,13H2,(H,24,27)(H,25,26)
InChIKeyFOWHXVDOUWNYDS-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.32
Rot. Bonds5

About N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide

N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide (PubChem CID 56759007) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide
PubChem CID56759007
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C1CCOCC1
InChIInChI=1S/C21H21FN4O2/c22-16-5-3-4-15(12-16)19-20(17-6-1-2-9-23-17)26-18(25-19)13-24-21(27)14-7-10-28-11-8-14/h1-6,9,12,14H,7-8,10-11,13H2,(H,24,27)(H,25,26)
InChIKeyFOWHXVDOUWNYDS-UHFFFAOYSA-N
XLogP3.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide (CID 56759007) is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide is O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C1CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide?
The InChIKey is FOWHXVDOUWNYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-5-3-4-15(12-16)19-20(17-6-1-2-9-23-17)26-18(25-19)13-24-21(27)14-7-10-28-11-8-14/h1-6,9,12,14H,7-8,10-11,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide?
N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56759007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).