1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole

C150H286F2N16O13S — CID 158532236

IUPAC1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
SMILESCC(C)(C)C(C)(C)c1cnco1.CC(C)(C)C(C)(C)c1cocn1.CC(C)(C)C(C)(C)c1ncco1.CC(C)(C)C1(C)CCOCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CC(C)(C)c1ccco1.CC1CN(C(C)(C)C)CC(C)O1.CC1COC(C)(C(C)(C)C)O1.CC1OC(C)(C(C)(C)C)OC1C.Cc1ncoc1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cn1nnnc1C(C)(C)C
InChIInChI=1S/2C10H17NO.C10H21NO.C10H17NO.C10H20O2.C10H20O.C9H17F2N.2C9H19N.C9H18O2.C9H18O.C8H13NO.C8H17NS.C8H17N.C8H12O.C7H12N2O.C6H12N4/c1-9(2,3)10(4,5)8-6-12-7-11-8;1-9(2,3)10(4,5)8-6-11-7-12-8;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10(4,5)8-11-6-7-12-8;1-7-8(2)12-10(6,11-7)9(3,4)5;1-9(2,3)10(4)5-7-11-8-6-10;1-8(2,3)12-6-4-9(10,11)5-7-12;2*1-9(2,3)10-7-5-4-6-8-10;1-7-6-10-9(5,11-7)8(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-6-7(8(2,3)4)10-5-9-6;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4;1-6(2,3)5-7-8-9-10(5)4/h2*6-7H,1-5H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3;2*4-8H2,1-3H3;7H,6H2,1-5H3;8H,4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*1-4H3
InChIKeyHNMYCYYPDLEVHM-UHFFFAOYSA-N
MW2592.10 g/mol
LogP38.77
Rot. Bonds3

About 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole

1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole (PubChem CID 158532236) has the molecular formula C150H286F2N16O13S and a molecular weight of 2592.10 g/mol. Its IUPAC name is 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
PubChem CID158532236
Molecular FormulaC150H286F2N16O13S
Molecular Weight2592.10 g/mol
Exact Mass2590.19
IUPAC Name1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
SMILESCC(C)(C)C(C)(C)c1cnco1.CC(C)(C)C(C)(C)c1cocn1.CC(C)(C)C(C)(C)c1ncco1.CC(C)(C)C1(C)CCOCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CC(C)(C)c1ccco1.CC1CN(C(C)(C)C)CC(C)O1.CC1COC(C)(C(C)(C)C)O1.CC1OC(C)(C(C)(C)C)OC1C.Cc1ncoc1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cn1nnnc1C(C)(C)C
InChIInChI=1S/2C10H17NO.C10H21NO.C10H17NO.C10H20O2.C10H20O.C9H17F2N.2C9H19N.C9H18O2.C9H18O.C8H13NO.C8H17NS.C8H17N.C8H12O.C7H12N2O.C6H12N4/c1-9(2,3)10(4,5)8-6-12-7-11-8;1-9(2,3)10(4,5)8-6-11-7-12-8;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10(4,5)8-11-6-7-12-8;1-7-8(2)12-10(6,11-7)9(3,4)5;1-9(2,3)10(4)5-7-11-8-6-10;1-8(2,3)12-6-4-9(10,11)5-7-12;2*1-9(2,3)10-7-5-4-6-8-10;1-7-6-10-9(5,11-7)8(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-6-7(8(2,3)4)10-5-9-6;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4;1-6(2,3)5-7-8-9-10(5)4/h2*6-7H,1-5H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3;2*4-8H2,1-3H3;7H,6H2,1-5H3;8H,4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*1-4H3
InChIKeyHNMYCYYPDLEVHM-UHFFFAOYSA-N
XLogP38.77
TPSA283.83 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds3
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002592.10
LogP ≤ 538.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
The IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole (CID 158532236) is 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole.
What is the SMILES notation for 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
The canonical SMILES for 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole is CC(C)(C)C(C)(C)c1cnco1.CC(C)(C)C(C)(C)c1cocn1.CC(C)(C)C(C)(C)c1ncco1.CC(C)(C)C1(C)CCOCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CC(C)(C)c1ccco1.CC1CN(C(C)(C)C)CC(C)O1.CC1COC(C)(C(C)(C)C)O1.CC1OC(C)(C(C)(C)C)OC1C.Cc1ncoc1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cn1nnnc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
The InChIKey is HNMYCYYPDLEVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NO.C10H21NO.C10H17NO.C10H20O2.C10H20O.C9H17F2N.2C9H19N.C9H18O2.C9H18O.C8H13NO.C8H17NS.C8H17N.C8H12O.C7H12N2O.C6H12N4/c1-9(2,3)10(4,5)8-6-12-7-11-8;1-9(2,3)10(4,5)8-6-11-7-12-8;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10(4,5)8-11-6-7-12-8;1-7-8(2)12-10(6,11-7)9(3,4)5;1-9(2,3)10(4)5-7-11-8-6-10;1-8(2,3)12-6-4-9(10,11)5-7-12;2*1-9(2,3)10-7-5-4-6-8-10;1-7-6-10-9(5,11-7)8(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-6-7(8(2,3)4)10-5-9-6;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4;1-6(2,3)5-7-8-9-10(5)4/h2*6-7H,1-5H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3;2*4-8H2,1-3H3;7H,6H2,1-5H3;8H,4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*1-4H3.
What are the key properties of 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole has a molecular weight of 2592.10 g/mol, XLogP of 38.77, 3 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole is sourced from PubChem (CID 158532236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).