N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide

C25H27FN6O2 — CID 166083856

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ncccc1F)c1coc(CCNCCc2nc3cc4c(cc3[nH]2)CCCC4)n1
InChIInChI=1S/C25H27FN6O2/c26-18-6-3-9-28-21(18)14-29-25(33)22-15-34-24(32-22)8-11-27-10-7-23-30-19-12-16-4-1-2-5-17(16)13-20(19)31-23/h3,6,9,12-13,15,27H,1-2,4-5,7-8,10-11,14H2,(H,29,33)(H,30,31)
InChIKeyNSPUGFCFGITEKC-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.27
Rot. Bonds9

About N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide

N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 166083856) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID166083856
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ncccc1F)c1coc(CCNCCc2nc3cc4c(cc3[nH]2)CCCC4)n1
InChIInChI=1S/C25H27FN6O2/c26-18-6-3-9-28-21(18)14-29-25(33)22-15-34-24(32-22)8-11-27-10-7-23-30-19-12-16-4-1-2-5-17(16)13-20(19)31-23/h3,6,9,12-13,15,27H,1-2,4-5,7-8,10-11,14H2,(H,29,33)(H,30,31)
InChIKeyNSPUGFCFGITEKC-UHFFFAOYSA-N
XLogP3.27
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-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-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide (CID 166083856) is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3cc4c(cc3[nH]2)CCCC4)n1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NSPUGFCFGITEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-18-6-3-9-28-21(18)14-29-25(33)22-15-34-24(32-22)8-11-27-10-7-23-30-19-12-16-4-1-2-5-17(16)13-20(19)31-23/h3,6,9,12-13,15,27H,1-2,4-5,7-8,10-11,14H2,(H,29,33)(H,30,31).
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide?
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).