tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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

C180H224Cl2F8N18O16S3 — CID 160877200

About tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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 160877200) has the molecular formula C180H224Cl2F8N18O16S3 and a molecular weight of 3214.97 g/mol. Its IUPAC name is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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: 160877200
• Molecular Formula: C180H224Cl2F8N18O16S3
• Molecular Weight: 3214.97 g/mol
• Exact Mass: 3211.57
• IUPAC Name: tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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)cc1F.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C=O)o1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1cccc(C)c1.Cc1nc(C)c(C)s1
• InChI: InChI=1S/C11H14ClNO.3C11H14FNO.C11H17NO3.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H9N3S.C9H10N2.C9H9NO.C8H7F3O.C8H10.C6H9NS.C6H6O2/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;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(2)12-11-6-5-9(3)7-10(11)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;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-2-3-7(6(9)4-5)12-8(10)11;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*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);5-6H,7H2,1-4H3,(H,12,13);5-8H,1-4H3;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);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2-4,8H,1H3;3-6H,1-2H3;1-3H3;2-4H,1H3
• InChIKey: SMOBCCYPRBVMDM-UHFFFAOYSA-N
• XLogP: 45.56
• TPSA: 398.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3214.97
LogP ≤ 5	45.56
H-Bond Donors ≤ 5	6
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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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 160877200) is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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)cc1F.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C=O)o1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1cccc(C)c1.Cc1nc(C)c(C)s1.

What is the InChIKey of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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 SMOBCCYPRBVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.3C11H14FNO.C11H17NO3.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H9N3S.C9H10N2.C9H9NO.C8H7F3O.C8H10.C6H9NS.C6H6O2/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;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(2)12-11-6-5-9(3)7-10(11)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;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-2-3-7(6(9)4-5)12-8(10)11;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*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);5-6H,7H2,1-4H3,(H,12,13);5-8H,1-4H3;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);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2-4,8H,1H3;3-6H,1-2H3;1-3H3;2-4H,1H3.

What are the key properties of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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 3214.97 g/mol, XLogP of 45.56, 21 rotatable bonds, 6 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;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;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 160877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).