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

C21H21FN4O2 — CID 56739514

IUPACN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C1CCCCO1
InChIInChI=1S/C21H21FN4O2/c22-15-7-5-6-14(12-15)19-20(16-8-1-3-10-23-16)26-18(25-19)13-24-21(27)17-9-2-4-11-28-17/h1,3,5-8,10,12,17H,2,4,9,11,13H2,(H,24,27)(H,25,26)
InChIKeyQEALXKBVEPETIT-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.46
Rot. Bonds5

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

N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide (PubChem CID 56739514) 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-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide
PubChem CID56739514
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-2-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C1CCCCO1
InChIInChI=1S/C21H21FN4O2/c22-15-7-5-6-14(12-15)19-20(16-8-1-3-10-23-16)26-18(25-19)13-24-21(27)17-9-2-4-11-28-17/h1,3,5-8,10,12,17H,2,4,9,11,13H2,(H,24,27)(H,25,26)
InChIKeyQEALXKBVEPETIT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide (CID 56739514) is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide is O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C1CCCCO1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
The InChIKey is QEALXKBVEPETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-7-5-6-14(12-15)19-20(16-8-1-3-10-23-16)26-18(25-19)13-24-21(27)17-9-2-4-11-28-17/h1,3,5-8,10,12,17H,2,4,9,11,13H2,(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-2-carboxamide?
N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]oxane-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.46, 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-2-carboxamide is sourced from PubChem (CID 56739514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).