5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole

C37H31ClF3N5O5 — CID 178143857

IUPAC5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
SMILESCOc1ccc(COc2cc(-c3nnc(Cc4cc(F)c(-c5cccc(OCc6ccc(Cl)cc6F)n5)cc4F)n3[C@H]3COC[C@H]3C)on2)cc1
InChIInChI=1S/C37H31ClF3N5O5/c1-21-17-48-20-32(21)46-34(43-44-37(46)33-16-36(45-51-33)49-18-22-6-10-26(47-2)11-7-22)13-24-12-30(41)27(15-29(24)40)31-4-3-5-35(42-31)50-19-23-8-9-25(38)14-28(23)39/h3-12,14-16,21,32H,13,17-20H2,1-2H3/t21-,32+/m1/s1
InChIKeyXUJFWVLGOZIWLL-KTBRYMIGSA-N
MW718.13 g/mol
LogP8.03
Rot. Bonds12

About 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole

5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole (PubChem CID 178143857) has the molecular formula C37H31ClF3N5O5 and a molecular weight of 718.13 g/mol. Its IUPAC name is 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
PubChem CID178143857
Molecular FormulaC37H31ClF3N5O5
Molecular Weight718.13 g/mol
Exact Mass717.20
IUPAC Name5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
SMILESCOc1ccc(COc2cc(-c3nnc(Cc4cc(F)c(-c5cccc(OCc6ccc(Cl)cc6F)n5)cc4F)n3[C@H]3COC[C@H]3C)on2)cc1
InChIInChI=1S/C37H31ClF3N5O5/c1-21-17-48-20-32(21)46-34(43-44-37(46)33-16-36(45-51-33)49-18-22-6-10-26(47-2)11-7-22)13-24-12-30(41)27(15-29(24)40)31-4-3-5-35(42-31)50-19-23-8-9-25(38)14-28(23)39/h3-12,14-16,21,32H,13,17-20H2,1-2H3/t21-,32+/m1/s1
InChIKeyXUJFWVLGOZIWLL-KTBRYMIGSA-N
XLogP8.03
TPSA106.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.13
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[5-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143865
5-[5-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3-ethylimidazol-4-yl)methyl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143869
5-[5-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143899
4-[[6-[2,5-difluoro-4-[[5-[3-[(4-methoxyphenyl)methoxy]-1,2-oxazol-5-yl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]phenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 178143930
5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143971
5-[5-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-(4,4-dimethyloxolan-3-yl)-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143973
5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3S)-4,4-dimethyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143986
5-[5-[[2,5-difluoro-4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178143997
4-[[6-[2,5-difluoro-4-[[5-[3-[(4-methoxyphenyl)methoxy]-1,2-oxazol-5-yl]-4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]phenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 178144009
5-[5-[[2,5-difluoro-4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178144057
5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3S)-oxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole
CID 178144062
4-[[6-[2,5-Difluoro-4-[[5-[3-[(4-methoxyphenyl)methoxy]-1,2-oxazol-5-yl]-4-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]phenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 178144071

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole?
The IUPAC name of 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole (CID 178143857) is 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole.
What is the SMILES notation for 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole?
The canonical SMILES for 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole is COc1ccc(COc2cc(-c3nnc(Cc4cc(F)c(-c5cccc(OCc6ccc(Cl)cc6F)n5)cc4F)n3[C@H]3COC[C@H]3C)on2)cc1.
What is the InChIKey of 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole?
The InChIKey is XUJFWVLGOZIWLL-KTBRYMIGSA-N. The full InChI is InChI=1S/C37H31ClF3N5O5/c1-21-17-48-20-32(21)46-34(43-44-37(46)33-16-36(45-51-33)49-18-22-6-10-26(47-2)11-7-22)13-24-12-30(41)27(15-29(24)40)31-4-3-5-35(42-31)50-19-23-8-9-25(38)14-28(23)39/h3-12,14-16,21,32H,13,17-20H2,1-2H3/t21-,32+/m1/s1.
What are the key properties of 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole?
5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole has a molecular weight of 718.13 g/mol, XLogP of 8.03, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[(3R,4S)-4-methyloxolan-3-yl]-1,2,4-triazol-3-yl]-3-[(4-methoxyphenyl)methoxy]-1,2-oxazole is sourced from PubChem (CID 178143857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).