N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

C25H26FN5O2 — CID 46385218

IUPACN-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCC1CCN(Cc2nnc(-c3cn(CC(=O)Nc4ccccc4F)c4ccccc34)o2)CC1
InChIInChI=1S/C25H26FN5O2/c1-17-10-12-30(13-11-17)16-24-28-29-25(33-24)19-14-31(22-9-5-2-6-18(19)22)15-23(32)27-21-8-4-3-7-20(21)26/h2-9,14,17H,10-13,15-16H2,1H3,(H,27,32)
InChIKeyLOUQHBMGAROUAZ-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.70
Rot. Bonds6

About N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 46385218) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
PubChem CID46385218
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCC1CCN(Cc2nnc(-c3cn(CC(=O)Nc4ccccc4F)c4ccccc34)o2)CC1
InChIInChI=1S/C25H26FN5O2/c1-17-10-12-30(13-11-17)16-24-28-29-25(33-24)19-14-31(22-9-5-2-6-18(19)22)15-23(32)27-21-8-4-3-7-20(21)26/h2-9,14,17H,10-13,15-16H2,1H3,(H,27,32)
InChIKeyLOUQHBMGAROUAZ-UHFFFAOYSA-N
XLogP4.70
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385229
N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385209
N-[(4-methylphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385224
N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385237
N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385248
N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 50827539
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
CID 46257811
N-cyclopropyl-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53027959
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 53027972
1-morpholin-4-yl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]ethanone
CID 46385196
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 46385218) is N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is CC1CCN(Cc2nnc(-c3cn(CC(=O)Nc4ccccc4F)c4ccccc34)o2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The InChIKey is LOUQHBMGAROUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-17-10-12-30(13-11-17)16-24-28-29-25(33-24)19-14-31(22-9-5-2-6-18(19)22)15-23(32)27-21-8-4-3-7-20(21)26/h2-9,14,17H,10-13,15-16H2,1H3,(H,27,32).
What are the key properties of N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 447.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 46385218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).