tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C101H106F3N7O13 — CID 160780635

IUPACtert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCOC(=O)c1ccc(-c2nc(C)co2)cc1.COCc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(CN(C)C)cc2)o1.Cc1ccc(-c2ccc(CN)cc2)o1.Cc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)o1.Cc1ccc(-c2nc(C)co2)cc1.Cc1ccc(-c2nc(C)co2)cc1.Cc1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H21NO3.C14H17NO.C13H14O2.C12H11NO3.C12H13NO.C11H8F3NO.2C11H11NO/c1-12-5-10-15(20-12)14-8-6-13(7-9-14)11-18-16(19)21-17(2,3)4;1-11-4-9-14(16-11)13-7-5-12(6-8-13)10-15(2)3;1-10-3-8-13(15-10)12-6-4-11(5-7-12)9-14-2;1-8-7-16-11(13-8)9-3-5-10(6-4-9)12(14)15-2;1-9-2-7-12(14-9)11-5-3-10(8-13)4-6-11;1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14;2*1-8-3-5-10(6-4-8)11-12-9(2)7-13-11/h5-10H,11H2,1-4H3,(H,18,19);4-9H,10H2,1-3H3;3-8H,9H2,1-2H3;3-7H,1-2H3;2-7H,8,13H2,1H3;2-6H,1H3;2*3-7H,1-2H3
InChIKeySANKDBDMGOWBLR-UHFFFAOYSA-N
MW1682.99 g/mol
LogP25.73
Rot. Bonds16

About tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 160780635) has the molecular formula C101H106F3N7O13 and a molecular weight of 1682.99 g/mol. Its IUPAC name is tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Nametert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID160780635
Molecular FormulaC101H106F3N7O13
Molecular Weight1682.99 g/mol
Exact Mass1681.78
IUPAC Nametert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCOC(=O)c1ccc(-c2nc(C)co2)cc1.COCc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(CN(C)C)cc2)o1.Cc1ccc(-c2ccc(CN)cc2)o1.Cc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)o1.Cc1ccc(-c2nc(C)co2)cc1.Cc1ccc(-c2nc(C)co2)cc1.Cc1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H21NO3.C14H17NO.C13H14O2.C12H11NO3.C12H13NO.C11H8F3NO.2C11H11NO/c1-12-5-10-15(20-12)14-8-6-13(7-9-14)11-18-16(19)21-17(2,3)4;1-11-4-9-14(16-11)13-7-5-12(6-8-13)10-15(2)3;1-10-3-8-13(15-10)12-6-4-11(5-7-12)9-14-2;1-8-7-16-11(13-8)9-3-5-10(6-4-9)12(14)15-2;1-9-2-7-12(14-9)11-5-3-10(8-13)4-6-11;1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14;2*1-8-3-5-10(6-4-8)11-12-9(2)7-13-11/h5-10H,11H2,1-4H3,(H,18,19);4-9H,10H2,1-3H3;3-8H,9H2,1-2H3;3-7H,1-2H3;2-7H,8,13H2,1H3;2-6H,1H3;2*3-7H,1-2H3
InChIKeySANKDBDMGOWBLR-UHFFFAOYSA-N
XLogP25.73
TPSA259.80 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.99
LogP ≤ 525.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 160780635) is tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is COC(=O)c1ccc(-c2nc(C)co2)cc1.COCc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(CN(C)C)cc2)o1.Cc1ccc(-c2ccc(CN)cc2)o1.Cc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)o1.Cc1ccc(-c2nc(C)co2)cc1.Cc1ccc(-c2nc(C)co2)cc1.Cc1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is SANKDBDMGOWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.C14H17NO.C13H14O2.C12H11NO3.C12H13NO.C11H8F3NO.2C11H11NO/c1-12-5-10-15(20-12)14-8-6-13(7-9-14)11-18-16(19)21-17(2,3)4;1-11-4-9-14(16-11)13-7-5-12(6-8-13)10-15(2)3;1-10-3-8-13(15-10)12-6-4-11(5-7-12)9-14-2;1-8-7-16-11(13-8)9-3-5-10(6-4-9)12(14)15-2;1-9-2-7-12(14-9)11-5-3-10(8-13)4-6-11;1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14;2*1-8-3-5-10(6-4-8)11-12-9(2)7-13-11/h5-10H,11H2,1-4H3,(H,18,19);4-9H,10H2,1-3H3;3-8H,9H2,1-2H3;3-7H,1-2H3;2-7H,8,13H2,1H3;2-6H,1H3;2*3-7H,1-2H3.
What are the key properties of tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 1682.99 g/mol, XLogP of 25.73, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(5-methylfuran-2-yl)phenyl]methyl]carbamate;N,N-dimethyl-1-[4-(5-methylfuran-2-yl)phenyl]methanamine;2-[4-(methoxymethyl)phenyl]-5-methylfuran;[4-(5-methylfuran-2-yl)phenyl]methanamine;methyl 4-(4-methyl-1,3-oxazol-2-yl)benzoate;bis(4-methyl-2-(4-methylphenyl)-1,3-oxazole);4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 160780635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).