N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide

C24H23F3N4O4 — CID 24852491

IUPACN-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide
SMILESCc1cc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)ccc1O[C@@H](C)C(F)(F)F
InChIInChI=1S/C24H23F3N4O4/c1-14-12-16(6-7-20(14)34-15(2)24(25,26)27)23-29-22(30-35-23)18-4-3-5-19-17(18)8-10-31(19)13-21(33)28-9-11-32/h3-8,10,12,15,32H,9,11,13H2,1-2H3,(H,28,33)/t15-/m0/s1
InChIKeyIRYFQIXRMHHUPS-HNNXBMFYSA-N
MW488.47 g/mol
LogP4.10
Rot. Bonds8

About N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide (PubChem CID 24852491) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide
PubChem CID24852491
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide
SMILESCc1cc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)ccc1O[C@@H](C)C(F)(F)F
InChIInChI=1S/C24H23F3N4O4/c1-14-12-16(6-7-20(14)34-15(2)24(25,26)27)23-29-22(30-35-23)18-4-3-5-19-17(18)8-10-31(19)13-21(33)28-9-11-32/h3-8,10,12,15,32H,9,11,13H2,1-2H3,(H,28,33)/t15-/m0/s1
InChIKeyIRYFQIXRMHHUPS-HNNXBMFYSA-N
XLogP4.10
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide (CID 24852491) is N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide is Cc1cc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)ccc1O[C@@H](C)C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
The InChIKey is IRYFQIXRMHHUPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14-12-16(6-7-20(14)34-15(2)24(25,26)27)23-29-22(30-35-23)18-4-3-5-19-17(18)8-10-31(19)13-21(33)28-9-11-32/h3-8,10,12,15,32H,9,11,13H2,1-2H3,(H,28,33)/t15-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide has a molecular weight of 488.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide is sourced from PubChem (CID 24852491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).