N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane

C139H140F5N13O16 — CID 158433853

IUPACN-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane
SMILESC.C.C.CC(=O)CCNC(=O)c1ccc(-c2noc(C)c2-c2cccc(F)c2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3noc(C)c3-c3cccc(F)c3)cc2)nc1.Cc1onc(-c2ccc(C(=O)N3CCCC3CO)cc2)c1-c1ccccc1.Cc1onc(-c2ccc(C(=O)NCC(C)C)cc2)c1-c1cccc(F)c1.Cc1onc(-c2ccc(C(=O)NCC(O)CCO)cc2)c1-c1cccc(F)c1.Cc1onc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c1-c1cccc(F)c1
InChIInChI=1S/C27H25FN2O2.C24H20FN3O2.C22H22N2O3.C21H21FN2O4.C21H19FN2O3.C21H21FN2O2.3CH4/c1-17-24(20-6-5-7-22(28)16-20)25(30-32-17)18-8-10-19(11-9-18)26(31)29-23-14-12-21(13-15-23)27(2,3)4;1-15-6-11-21(26-13-15)14-27-24(29)18-9-7-17(8-10-18)23-22(16(2)30-28-23)19-4-3-5-20(25)12-19;1-15-20(16-6-3-2-4-7-16)21(23-27-15)17-9-11-18(12-10-17)22(26)24-13-5-8-19(24)14-25;1-13-19(16-3-2-4-17(22)11-16)20(24-28-13)14-5-7-15(8-6-14)21(27)23-12-18(26)9-10-25;1-13(25)10-11-23-21(26)16-8-6-15(7-9-16)20-19(14(2)27-24-20)17-4-3-5-18(22)12-17;1-13(2)12-23-21(25)16-9-7-15(8-10-16)20-19(14(3)26-24-20)17-5-4-6-18(22)11-17;;;/h5-16H,1-4H3,(H,29,31);3-13H,14H2,1-2H3,(H,27,29);2-4,6-7,9-12,19,25H,5,8,13-14H2,1H3;2-8,11,18,25-26H,9-10,12H2,1H3,(H,23,27);3-9,12H,10-11H2,1-2H3,(H,23,26);4-11,13H,12H2,1-3H3,(H,23,25);3*1H4
InChIKeyHBZHGXIIPBEQHA-UHFFFAOYSA-N
MW2343.71 g/mol
LogP29.85
Rot. Bonds31

About N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane

N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane (PubChem CID 158433853) has the molecular formula C139H140F5N13O16 and a molecular weight of 2343.71 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane
PubChem CID158433853
Molecular FormulaC139H140F5N13O16
Molecular Weight2343.71 g/mol
Exact Mass2342.05
IUPAC NameN-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane
SMILESC.C.C.CC(=O)CCNC(=O)c1ccc(-c2noc(C)c2-c2cccc(F)c2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3noc(C)c3-c3cccc(F)c3)cc2)nc1.Cc1onc(-c2ccc(C(=O)N3CCCC3CO)cc2)c1-c1ccccc1.Cc1onc(-c2ccc(C(=O)NCC(C)C)cc2)c1-c1cccc(F)c1.Cc1onc(-c2ccc(C(=O)NCC(O)CCO)cc2)c1-c1cccc(F)c1.Cc1onc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c1-c1cccc(F)c1
InChIInChI=1S/C27H25FN2O2.C24H20FN3O2.C22H22N2O3.C21H21FN2O4.C21H19FN2O3.C21H21FN2O2.3CH4/c1-17-24(20-6-5-7-22(28)16-20)25(30-32-17)18-8-10-19(11-9-18)26(31)29-23-14-12-21(13-15-23)27(2,3)4;1-15-6-11-21(26-13-15)14-27-24(29)18-9-7-17(8-10-18)23-22(16(2)30-28-23)19-4-3-5-20(25)12-19;1-15-20(16-6-3-2-4-7-16)21(23-27-15)17-9-11-18(12-10-17)22(26)24-13-5-8-19(24)14-25;1-13-19(16-3-2-4-17(22)11-16)20(24-28-13)14-5-7-15(8-6-14)21(27)23-12-18(26)9-10-25;1-13(25)10-11-23-21(26)16-8-6-15(7-9-16)20-19(14(2)27-24-20)17-4-3-5-18(22)12-17;1-13(2)12-23-21(25)16-9-7-15(8-10-16)20-19(14(3)26-24-20)17-5-4-6-18(22)11-17;;;/h5-16H,1-4H3,(H,29,31);3-13H,14H2,1-2H3,(H,27,29);2-4,6-7,9-12,19,25H,5,8,13-14H2,1H3;2-8,11,18,25-26H,9-10,12H2,1H3,(H,23,27);3-9,12H,10-11H2,1-2H3,(H,23,26);4-11,13H,12H2,1-3H3,(H,23,25);3*1H4
InChIKeyHBZHGXIIPBEQHA-UHFFFAOYSA-N
XLogP29.85
TPSA412.64 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002343.71
LogP ≤ 529.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane?
The IUPAC name of N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane (CID 158433853) is N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane is C.C.C.CC(=O)CCNC(=O)c1ccc(-c2noc(C)c2-c2cccc(F)c2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3noc(C)c3-c3cccc(F)c3)cc2)nc1.Cc1onc(-c2ccc(C(=O)N3CCCC3CO)cc2)c1-c1ccccc1.Cc1onc(-c2ccc(C(=O)NCC(C)C)cc2)c1-c1cccc(F)c1.Cc1onc(-c2ccc(C(=O)NCC(O)CCO)cc2)c1-c1cccc(F)c1.Cc1onc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c1-c1cccc(F)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane?
The InChIKey is HBZHGXIIPBEQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O2.C24H20FN3O2.C22H22N2O3.C21H21FN2O4.C21H19FN2O3.C21H21FN2O2.3CH4/c1-17-24(20-6-5-7-22(28)16-20)25(30-32-17)18-8-10-19(11-9-18)26(31)29-23-14-12-21(13-15-23)27(2,3)4;1-15-6-11-21(26-13-15)14-27-24(29)18-9-7-17(8-10-18)23-22(16(2)30-28-23)19-4-3-5-20(25)12-19;1-15-20(16-6-3-2-4-7-16)21(23-27-15)17-9-11-18(12-10-17)22(26)24-13-5-8-19(24)14-25;1-13-19(16-3-2-4-17(22)11-16)20(24-28-13)14-5-7-15(8-6-14)21(27)23-12-18(26)9-10-25;1-13(25)10-11-23-21(26)16-8-6-15(7-9-16)20-19(14(2)27-24-20)17-4-3-5-18(22)12-17;1-13(2)12-23-21(25)16-9-7-15(8-10-16)20-19(14(3)26-24-20)17-5-4-6-18(22)11-17;;;/h5-16H,1-4H3,(H,29,31);3-13H,14H2,1-2H3,(H,27,29);2-4,6-7,9-12,19,25H,5,8,13-14H2,1H3;2-8,11,18,25-26H,9-10,12H2,1H3,(H,23,27);3-9,12H,10-11H2,1-2H3,(H,23,26);4-11,13H,12H2,1-3H3,(H,23,25);3*1H4.
What are the key properties of N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane?
N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane has a molecular weight of 2343.71 g/mol, XLogP of 29.85, 31 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;N-(2,4-dihydroxybutyl)-4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(2-methylpropyl)benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]benzamide;4-[4-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(3-oxobutyl)benzamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]methanone;methane is sourced from PubChem (CID 158433853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).