4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride

C46H53F75N10O7 — CID 160533005

IUPAC4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride
SMILESCc1ccc(-c2noc(CCC(C)(C)O)n2)cc1N.Cc1ccn2c(C(=O)Nc3cc(-c4noc(CCC(C)(C)O)n4)ccc3C)cnc2c1.Cc1ccn2c(C(=O)O)cnc2c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF
InChIInChI=1S/C23H25N5O3.C14H19N3O2.C9H8N2O2.37F2.FH/c1-14-8-10-28-18(13-24-19(28)11-14)22(29)25-17-12-16(6-5-15(17)2)21-26-20(31-27-21)7-9-23(3,4)30;1-9-4-5-10(8-11(9)15)13-16-12(19-17-13)6-7-14(2,3)18;1-6-2-3-11-7(9(12)13)5-10-8(11)4-6;37*1-2;/h5-6,8,10-13,30H,7,9H2,1-4H3,(H,25,29);4-5,8,18H,6-7,15H2,1-3H3;2-5H,1H3,(H,12,13);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H
InChIKeyQVUIIENQZIHRGU-UHFFFAOYSA-N
MW2282.84 g/mol
LogP38.88
Rot. Bonds11

About 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride

4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride (PubChem CID 160533005) has the molecular formula C46H53F75N10O7 and a molecular weight of 2282.84 g/mol. Its IUPAC name is 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride
PubChem CID160533005
Molecular FormulaC46H53F75N10O7
Molecular Weight2282.84 g/mol
Exact Mass2282.29
IUPAC Name4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride
SMILESCc1ccc(-c2noc(CCC(C)(C)O)n2)cc1N.Cc1ccn2c(C(=O)Nc3cc(-c4noc(CCC(C)(C)O)n4)ccc3C)cnc2c1.Cc1ccn2c(C(=O)O)cnc2c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF
InChIInChI=1S/C23H25N5O3.C14H19N3O2.C9H8N2O2.37F2.FH/c1-14-8-10-28-18(13-24-19(28)11-14)22(29)25-17-12-16(6-5-15(17)2)21-26-20(31-27-21)7-9-23(3,4)30;1-9-4-5-10(8-11(9)15)13-16-12(19-17-13)6-7-14(2,3)18;1-6-2-3-11-7(9(12)13)5-10-8(11)4-6;37*1-2;/h5-6,8,10-13,30H,7,9H2,1-4H3,(H,25,29);4-5,8,18H,6-7,15H2,1-3H3;2-5H,1H3,(H,12,13);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H
InChIKeyQVUIIENQZIHRGU-UHFFFAOYSA-N
XLogP38.88
TPSA245.32 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.84
LogP ≤ 538.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride with MolForge

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Related Compounds

7-methyl-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71286120
ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545174
N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760
7-(3-hydroxy-3-methylbutyl)-N-[2-methyl-5-[5-(1-methylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515231
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281207
N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144545153
6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 157398913
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methanesulfonamide
CID 171796253
N-[5-[5-[2-(1-hydroxycyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280638
N-[5-[5-[3-(diethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282350
N-[5-[5-[(3E)-3-(aminohydrazinylidene)butyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545360

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride?
The IUPAC name of 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride (CID 160533005) is 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride.
What is the SMILES notation for 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride?
The canonical SMILES for 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride is Cc1ccc(-c2noc(CCC(C)(C)O)n2)cc1N.Cc1ccn2c(C(=O)Nc3cc(-c4noc(CCC(C)(C)O)n4)ccc3C)cnc2c1.Cc1ccn2c(C(=O)O)cnc2c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.
What is the InChIKey of 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride?
The InChIKey is QVUIIENQZIHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3.C14H19N3O2.C9H8N2O2.37F2.FH/c1-14-8-10-28-18(13-24-19(28)11-14)22(29)25-17-12-16(6-5-15(17)2)21-26-20(31-27-21)7-9-23(3,4)30;1-9-4-5-10(8-11(9)15)13-16-12(19-17-13)6-7-14(2,3)18;1-6-2-3-11-7(9(12)13)5-10-8(11)4-6;37*1-2;/h5-6,8,10-13,30H,7,9H2,1-4H3,(H,25,29);4-5,8,18H,6-7,15H2,1-3H3;2-5H,1H3,(H,12,13);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H.
What are the key properties of 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride?
4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride has a molecular weight of 2282.84 g/mol, XLogP of 38.88, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride is sourced from PubChem (CID 160533005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).