tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene

C177H223Cl3F6N16O19S4 — CID 157254845

About tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene

tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene (PubChem CID 157254845) has the molecular formula C177H223Cl3F6N16O19S4 and a molecular weight of 3227.44 g/mol. Its IUPAC name is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene.

Molecular Properties

• Compound Name: tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene
• PubChem CID: 157254845
• Molecular Formula: C177H223Cl3F6N16O19S4
• Molecular Weight: 3227.44 g/mol
• Exact Mass: 3223.48
• IUPAC Name: tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene
• SMILES: CC(=O)Nc1ccc(C)cc1.CC(=O)Nc1ccc(C)cc1F.COc1c(F)cc(C)cc1F.COc1cc(C)ccc1Cl.COc1ccc(Cl)c(C)c1.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C=O)o1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C)c1.Cc1nc(C)c(C)s1
• InChI: InChI=1S/C12H15NO2.2C11H14FNO.C11H17NO3.C11H17NO2S.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H9N3S.C9H11NO.2C8H9ClO.C8H8F2O.C8H10.C6H9NS.C6H6O2/c1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-7-3-5-9(6-4-7)10-8(2)11;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-5-3-6(9)8(11-2)7(10)4-5;1-7-4-3-5-8(2)6-7;1-4-5(2)8-6(3)7-4;1-5-2-3-6(4-7)8-5/h2-4,9H,5-8H2,1H3;2*4-7H,1-3H3,(H,13,14);2*5-6H,7H2,1-4H3,(H,12,13);2*4-7H,1-3H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;3-5H,1-2H3,(H,11,12);2-5H,1H3,(H2,10,12);3-6H,1-2H3,(H,10,11);2*3-5H,1-2H3;3-4H,1-2H3;3-6H,1-2H3;1-3H3;2-4H,1H3
• InChIKey: AWTOVSVUAJUFHQ-UHFFFAOYSA-N
• XLogP: 44.75
• TPSA: 424.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3227.44
LogP ≤ 5	44.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

The IUPAC name of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene (CID 157254845) is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene.

What is the SMILES notation for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

The canonical SMILES for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene is CC(=O)Nc1ccc(C)cc1.CC(=O)Nc1ccc(C)cc1F.COc1c(F)cc(C)cc1F.COc1cc(C)ccc1Cl.COc1ccc(Cl)c(C)c1.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C=O)o1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C)c1.Cc1nc(C)c(C)s1.

What is the InChIKey of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

The InChIKey is AWTOVSVUAJUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.2C11H14FNO.C11H17NO3.C11H17NO2S.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H9N3S.C9H11NO.2C8H9ClO.C8H8F2O.C8H10.C6H9NS.C6H6O2/c1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-7-3-5-9(6-4-7)10-8(2)11;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-5-3-6(9)8(11-2)7(10)4-5;1-7-4-3-5-8(2)6-7;1-4-5(2)8-6(3)7-4;1-5-2-3-6(4-7)8-5/h2-4,9H,5-8H2,1H3;2*4-7H,1-3H3,(H,13,14);2*5-6H,7H2,1-4H3,(H,12,13);2*4-7H,1-3H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;3-5H,1-2H3,(H,11,12);2-5H,1H3,(H2,10,12);3-6H,1-2H3,(H,10,11);2*3-5H,1-2H3;3-4H,1-2H3;3-6H,1-2H3;1-3H3;2-4H,1H3.

What are the key properties of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene has a molecular weight of 3227.44 g/mol, XLogP of 44.75, 22 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;N-(4-methylphenyl)acetamide;(3-methylphenyl)-morpholin-4-ylmethanone;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene is sourced from PubChem (CID 157254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).