2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole

C24H22FN5O4S — CID 135438375

IUPAC2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole
SMILESCc1cc(OCc2coc(-c3cc4cc(F)ccc4[nH]3)n2)ccc1CS(=O)(=O)CCn1ccnn1
InChIInChI=1S/C24H22FN5O4S/c1-16-10-21(4-2-17(16)15-35(31,32)9-8-30-7-6-26-29-30)33-13-20-14-34-24(27-20)23-12-18-11-19(25)3-5-22(18)28-23/h2-7,10-12,14,28H,8-9,13,15H2,1H3
InChIKeyVKUYUSHDHGAYLM-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.06
Rot. Bonds9

About 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole

2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole (PubChem CID 135438375) has the molecular formula C24H22FN5O4S and a molecular weight of 495.54 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole
PubChem CID135438375
Molecular FormulaC24H22FN5O4S
Molecular Weight495.54 g/mol
Exact Mass495.14
IUPAC Name2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole
SMILESCc1cc(OCc2coc(-c3cc4cc(F)ccc4[nH]3)n2)ccc1CS(=O)(=O)CCn1ccnn1
InChIInChI=1S/C24H22FN5O4S/c1-16-10-21(4-2-17(16)15-35(31,32)9-8-30-7-6-26-29-30)33-13-20-14-34-24(27-20)23-12-18-11-19(25)3-5-22(18)28-23/h2-7,10-12,14,28H,8-9,13,15H2,1H3
InChIKeyVKUYUSHDHGAYLM-UHFFFAOYSA-N
XLogP4.06
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole
CID 11670806
pentafluoro-[4-[(E)-2-[4-[[4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazol-2-yl]ethenyl]phenyl]-lambda6-sulfane
CID 11215313
4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole
CID 142575710
4-[chloro-[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-(1H-indol-2-yl)-1,3-oxazole
CID 140524398
4-(1,3-benzodioxol-5-yloxymethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 31673534
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
CID 69424980
4-[[3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,3-oxazole
CID 69292874
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 32563257
2-(4-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030076
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
2-(4-fluorophenyl)-4-(2-methylsulfonylethylsulfonylmethyl)-1,3-oxazole
CID 47563050

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole (CID 135438375) is 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole is Cc1cc(OCc2coc(-c3cc4cc(F)ccc4[nH]3)n2)ccc1CS(=O)(=O)CCn1ccnn1.
What is the InChIKey of 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole?
The InChIKey is VKUYUSHDHGAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4S/c1-16-10-21(4-2-17(16)15-35(31,32)9-8-30-7-6-26-29-30)33-13-20-14-34-24(27-20)23-12-18-11-19(25)3-5-22(18)28-23/h2-7,10-12,14,28H,8-9,13,15H2,1H3.
What are the key properties of 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole?
2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole has a molecular weight of 495.54 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-2-yl)-4-[[3-methyl-4-[2-(triazol-1-yl)ethylsulfonylmethyl]phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 135438375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).