7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane

C108H159N21O5 — CID 162271169

IUPAC7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
SMILESC.CC(C)(C)N1CCC(=O)N1.CC(C)(C)N1CCCC1=O.CC(C)(C)OC1CCC1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cnn2c1COCC2.CC(C)(C)c1nccn2ccnc12
InChIInChI=1S/3C11H14N2.C11H13NO.3C10H13N3.C10H16N2O.C8H15NO.C8H16O.C7H14N2O.CH4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;2*1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)8-6-11-12-4-5-13-7-9(8)12;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-7-5-4-6-7;1-7(2,3)9-5-4-6(10)8-9;/h2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;6H,4-5,7H2,1-3H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H2,1-3H3,(H,8,10);1H4
InChIKeyGRBYKOPVMBOZBO-UHFFFAOYSA-N
MW1831.60 g/mol
LogP23.96
Rot. Bonds1

About 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane

7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane (PubChem CID 162271169) has the molecular formula C108H159N21O5 and a molecular weight of 1831.60 g/mol. Its IUPAC name is 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane.

Molecular Properties

Compound Name7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
PubChem CID162271169
Molecular FormulaC108H159N21O5
Molecular Weight1831.60 g/mol
Exact Mass1830.28
IUPAC Name7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
SMILESC.CC(C)(C)N1CCC(=O)N1.CC(C)(C)N1CCCC1=O.CC(C)(C)OC1CCC1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cnn2c1COCC2.CC(C)(C)c1nccn2ccnc12
InChIInChI=1S/3C11H14N2.C11H13NO.3C10H13N3.C10H16N2O.C8H15NO.C8H16O.C7H14N2O.CH4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;2*1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)8-6-11-12-4-5-13-7-9(8)12;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-7-5-4-6-7;1-7(2,3)9-5-4-6(10)8-9;/h2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;6H,4-5,7H2,1-3H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H2,1-3H3,(H,8,10);1H4
InChIKeyGRBYKOPVMBOZBO-UHFFFAOYSA-N
XLogP23.96
TPSA268.81 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds1
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001831.60
LogP ≤ 523.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
The IUPAC name of 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane (CID 162271169) is 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane.
What is the SMILES notation for 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
The canonical SMILES for 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane is C.CC(C)(C)N1CCC(=O)N1.CC(C)(C)N1CCCC1=O.CC(C)(C)OC1CCC1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cnn2c1COCC2.CC(C)(C)c1nccn2ccnc12.
What is the InChIKey of 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
The InChIKey is GRBYKOPVMBOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H14N2.C11H13NO.3C10H13N3.C10H16N2O.C8H15NO.C8H16O.C7H14N2O.CH4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;2*1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)8-6-11-12-4-5-13-7-9(8)12;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-7-5-4-6-7;1-7(2,3)9-5-4-6(10)8-9;/h2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;6H,4-5,7H2,1-3H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H2,1-3H3,(H,8,10);1H4.
What are the key properties of 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane has a molecular weight of 1831.60 g/mol, XLogP of 23.96, 1 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;7-tert-butyl-1H-indazole;1-tert-butylpyrazolidin-3-one;1-tert-butylpyrrolidin-2-one;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane is sourced from PubChem (CID 162271169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).