4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one

C163H249ClF2N10O11S2 — CID 167689886

About 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one

4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one (PubChem CID 167689886) has the molecular formula C163H249ClF2N10O11S2 and a molecular weight of 2662.43 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one.

Molecular Properties

• Compound Name: 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one
• PubChem CID: 167689886
• Molecular Formula: C163H249ClF2N10O11S2
• Molecular Weight: 2662.43 g/mol
• Exact Mass: 2659.83
• IUPAC Name: 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one
• SMILES: CC(C)(C)CC1CCCC1.CC(C)(C)CCCC(=O)c1ccco1.CC(C)(C)CCc1ccc(C#N)cc1.CC(C)(C)Cc1cccc(F)c1.CC(C)(C)Cc1ccccc1F.CC(C)(C)Cn1c(=O)oc2ccccc21.CC(C)(C)c1cccc(CC(=O)C2CCCO2)c1.CC(C)(C)c1nc(N2CCCCC2)ncc1Cl.CC(C)(C)c1ncoc1-c1cccs1.CC(C)COC(C)C(C)(C)C.CCn1nnc2cc(C(C)(C)C)ccc21.CN(CC(C)(C)C)S(C)(=O)=O.COc1cccc(CCC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1
• InChI: InChI=1S/C16H22O2.C13H20ClN3.C13H17N.C13H20O.C12H17N3.C12H15NO2.C12H18O2.C12H18.2C11H15F.C11H13NOS.C10H22O.C10H20.C7H17NO2S/c1-16(2,3)13-7-4-6-12(10-13)11-14(17)15-8-5-9-18-15;1-13(2,3)11-10(14)9-15-12(16-11)17-7-5-4-6-8-17;1-13(2,3)9-8-11-4-6-12(10-14)7-5-11;1-13(2,3)9-8-11-6-5-7-12(10-11)14-4;1-5-15-11-7-6-9(12(2,3)4)8-10(11)13-14-15;1-12(2,3)8-13-9-6-4-5-7-10(9)15-11(13)14;1-12(2,3)8-4-6-10(13)11-7-5-9-14-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)8-9-5-4-6-10(12)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)10-9(13-7-12-10)8-5-4-6-14-8;1-8(2)7-11-9(3)10(4,5)6;1-10(2,3)8-9-6-4-5-7-9;1-7(2,3)6-8(4)11(5,9)10/h4,6-7,10,15H,5,8-9,11H2,1-3H3;9H,4-8H2,1-3H3;4-7H,8-9H2,1-3H3;5-7,10H,8-9H2,1-4H3;6-8H,5H2,1-4H3;4-7H,8H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;5-8H,9H2,1-4H3;2*4-7H,8H2,1-3H3;4-7H,1-3H3;8-9H,7H2,1-6H3;9H,4-8H2,1-3H3;6H2,1-5H3
• InChIKey: WTRJPQMMFBERBG-UHFFFAOYSA-N
• XLogP: 44.71
• TPSA: 257.04 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2662.43
LogP ≤ 5	44.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

The IUPAC name of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one (CID 167689886) is 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one.

What is the SMILES notation for 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

The canonical SMILES for 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one is CC(C)(C)CC1CCCC1.CC(C)(C)CCCC(=O)c1ccco1.CC(C)(C)CCc1ccc(C#N)cc1.CC(C)(C)Cc1cccc(F)c1.CC(C)(C)Cc1ccccc1F.CC(C)(C)Cn1c(=O)oc2ccccc21.CC(C)(C)c1cccc(CC(=O)C2CCCO2)c1.CC(C)(C)c1nc(N2CCCCC2)ncc1Cl.CC(C)(C)c1ncoc1-c1cccs1.CC(C)COC(C)C(C)(C)C.CCn1nnc2cc(C(C)(C)C)ccc21.CN(CC(C)(C)C)S(C)(=O)=O.COc1cccc(CCC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1.

What is the InChIKey of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

The InChIKey is WTRJPQMMFBERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2.C13H20ClN3.C13H17N.C13H20O.C12H17N3.C12H15NO2.C12H18O2.C12H18.2C11H15F.C11H13NOS.C10H22O.C10H20.C7H17NO2S/c1-16(2,3)13-7-4-6-12(10-13)11-14(17)15-8-5-9-18-15;1-13(2,3)11-10(14)9-15-12(16-11)17-7-5-4-6-8-17;1-13(2,3)9-8-11-4-6-12(10-14)7-5-11;1-13(2,3)9-8-11-6-5-7-12(10-11)14-4;1-5-15-11-7-6-9(12(2,3)4)8-10(11)13-14-15;1-12(2,3)8-13-9-6-4-5-7-10(9)15-11(13)14;1-12(2,3)8-4-6-10(13)11-7-5-9-14-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)8-9-5-4-6-10(12)7-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)10-9(13-7-12-10)8-5-4-6-14-8;1-8(2)7-11-9(3)10(4,5)6;1-10(2,3)8-9-6-4-5-7-9;1-7(2,3)6-8(4)11(5,9)10/h4,6-7,10,15H,5,8-9,11H2,1-3H3;9H,4-8H2,1-3H3;4-7H,8-9H2,1-3H3;5-7,10H,8-9H2,1-4H3;6-8H,5H2,1-4H3;4-7H,8H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;5-8H,9H2,1-4H3;2*4-7H,8H2,1-3H3;4-7H,1-3H3;8-9H,7H2,1-6H3;9H,4-8H2,1-3H3;6H2,1-5H3.

What are the key properties of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one has a molecular weight of 2662.43 g/mol, XLogP of 44.71, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;5-tert-butyl-1-ethylbenzotriazole;2-(3-tert-butylphenyl)-1-(oxolan-2-yl)ethanone;4-tert-butyl-5-thiophen-2-yl-1,3-oxazole;4-(3,3-dimethylbutyl)benzonitrile;1-(3,3-dimethylbutyl)-3-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;3-(2,2-dimethylpropyl)-1,3-benzoxazol-2-one;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;N-(2,2-dimethylpropyl)-N-methylmethanesulfonamide;1-(furan-2-yl)-5,5-dimethylhexan-1-one is sourced from PubChem (CID 167689886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).