2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole

C36H30ClF4N7O3 — CID 168678747

IUPAC2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole
SMILESFc1cc(Cl)ccc1COc1cccc(C2=CCN(Cc3nc4cc(-c5nc(-c6cnc(C(F)(F)F)[nH]6)co5)ccc4n3C[C@@H]3CCO3)CC2)n1
InChIInChI=1S/C36H30ClF4N7O3/c37-24-6-4-23(26(38)15-24)19-50-33-3-1-2-27(44-33)21-8-11-47(12-9-21)18-32-43-28-14-22(5-7-31(28)48(32)17-25-10-13-49-25)34-45-30(20-51-34)29-16-42-35(46-29)36(39,40)41/h1-8,14-16,20,25H,9-13,17-19H2,(H,42,46)/t25-/m0/s1
InChIKeyRYTACTLMBBSVJQ-VWLOTQADSA-N
MW720.13 g/mol
LogP7.94
Rot. Bonds10

About 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole

2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole (PubChem CID 168678747) has the molecular formula C36H30ClF4N7O3 and a molecular weight of 720.13 g/mol. Its IUPAC name is 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole
PubChem CID168678747
Molecular FormulaC36H30ClF4N7O3
Molecular Weight720.13 g/mol
Exact Mass719.20
IUPAC Name2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole
SMILESFc1cc(Cl)ccc1COc1cccc(C2=CCN(Cc3nc4cc(-c5nc(-c6cnc(C(F)(F)F)[nH]6)co5)ccc4n3C[C@@H]3CCO3)CC2)n1
InChIInChI=1S/C36H30ClF4N7O3/c37-24-6-4-23(26(38)15-24)19-50-33-3-1-2-27(44-33)21-8-11-47(12-9-21)18-32-43-28-14-22(5-7-31(28)48(32)17-25-10-13-49-25)34-45-30(20-51-34)29-16-42-35(46-29)36(39,40)41/h1-8,14-16,20,25H,9-13,17-19H2,(H,42,46)/t25-/m0/s1
InChIKeyRYTACTLMBBSVJQ-VWLOTQADSA-N
XLogP7.94
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.13
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole 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 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole (CID 168678747) is 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole is Fc1cc(Cl)ccc1COc1cccc(C2=CCN(Cc3nc4cc(-c5nc(-c6cnc(C(F)(F)F)[nH]6)co5)ccc4n3C[C@@H]3CCO3)CC2)n1.
What is the InChIKey of 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole?
The InChIKey is RYTACTLMBBSVJQ-VWLOTQADSA-N. The full InChI is InChI=1S/C36H30ClF4N7O3/c37-24-6-4-23(26(38)15-24)19-50-33-3-1-2-27(44-33)21-8-11-47(12-9-21)18-32-43-28-14-22(5-7-31(28)48(32)17-25-10-13-49-25)34-45-30(20-51-34)29-16-42-35(46-29)36(39,40)41/h1-8,14-16,20,25H,9-13,17-19H2,(H,42,46)/t25-/m0/s1.
What are the key properties of 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole?
2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole has a molecular weight of 720.13 g/mol, XLogP of 7.94, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4-[2-(trifluoromethyl)-1H-imidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 168678747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).