2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C92H139N19O5S — CID 159409852

IUPAC2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)C.CC(C)c1cc2n(n1)CCCO2.CC(C)c1cccnn1.CC(C)c1cn2c(n1)CNCC2.CC(C)c1cn2ccsc2n1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1nc2ccccc2[nH]1.CC(C)c1noc2c1CCCC2.CC(C)c1noc2c1COCC2.c1cc2n(n1)CCCC2
InChIInChI=1S/C10H12N2.C10H16N2.C10H15NO.C9H15N3.2C9H14N2O.C9H13NO2.C8H10N2S.2C7H10N2.C4H10/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-6-12-4-3-10-5-9(12)11-8;1-6(2)9-7-5-12-4-3-8(7)10-11-9;1-7(2)8-6-9-11(10-8)4-3-5-12-9;1-6(2)9-7-5-11-4-3-8(7)12-10-9;1-6(2)7-5-10-3-4-11-8(10)9-7;1-2-6-9-7(3-1)4-5-8-9;1-6(2)7-4-3-5-8-9-7;1-4(2)3/h3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3;6-7,10H,3-5H2,1-2H3;6H,3-5H2,1-2H3,(H,10,11);6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-6H,1-2H3;4-5H,1-3,6H2;3-6H,1-2H3;4H,1-3H3
InChIKeyLOLBSILPJNYNCX-UHFFFAOYSA-N
MW1623.32 g/mol
LogP21.15
Rot. Bonds9

About 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 159409852) has the molecular formula C92H139N19O5S and a molecular weight of 1623.32 g/mol. Its IUPAC name is 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID159409852
Molecular FormulaC92H139N19O5S
Molecular Weight1623.32 g/mol
Exact Mass1622.09
IUPAC Name2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)C.CC(C)c1cc2n(n1)CCCO2.CC(C)c1cccnn1.CC(C)c1cn2c(n1)CNCC2.CC(C)c1cn2ccsc2n1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1nc2ccccc2[nH]1.CC(C)c1noc2c1CCCC2.CC(C)c1noc2c1COCC2.c1cc2n(n1)CCCC2
InChIInChI=1S/C10H12N2.C10H16N2.C10H15NO.C9H15N3.2C9H14N2O.C9H13NO2.C8H10N2S.2C7H10N2.C4H10/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-6-12-4-3-10-5-9(12)11-8;1-6(2)9-7-5-12-4-3-8(7)10-11-9;1-7(2)8-6-9-11(10-8)4-3-5-12-9;1-6(2)9-7-5-11-4-3-8(7)12-10-9;1-6(2)7-5-10-3-4-11-8(10)9-7;1-2-6-9-7(3-1)4-5-8-9;1-6(2)7-4-3-5-8-9-7;1-4(2)3/h3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3;6-7,10H,3-5H2,1-2H3;6H,3-5H2,1-2H3,(H,10,11);6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-6H,1-2H3;4-5H,1-3,6H2;3-6H,1-2H3;4H,1-3H3
InChIKeyLOLBSILPJNYNCX-UHFFFAOYSA-N
XLogP21.15
TPSA274.36 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.32
LogP ≤ 521.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 159409852) is 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)C.CC(C)c1cc2n(n1)CCCO2.CC(C)c1cccnn1.CC(C)c1cn2c(n1)CNCC2.CC(C)c1cn2ccsc2n1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1nc2ccccc2[nH]1.CC(C)c1noc2c1CCCC2.CC(C)c1noc2c1COCC2.c1cc2n(n1)CCCC2.
What is the InChIKey of 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is LOLBSILPJNYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H16N2.C10H15NO.C9H15N3.2C9H14N2O.C9H13NO2.C8H10N2S.2C7H10N2.C4H10/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-6-12-4-3-10-5-9(12)11-8;1-6(2)9-7-5-12-4-3-8(7)10-11-9;1-7(2)8-6-9-11(10-8)4-3-5-12-9;1-6(2)9-7-5-11-4-3-8(7)12-10-9;1-6(2)7-5-10-3-4-11-8(10)9-7;1-2-6-9-7(3-1)4-5-8-9;1-6(2)7-4-3-5-8-9-7;1-4(2)3/h3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3;6-7,10H,3-5H2,1-2H3;6H,3-5H2,1-2H3,(H,10,11);6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-6H,1-2H3;4-5H,1-3,6H2;3-6H,1-2H3;4H,1-3H3.
What are the key properties of 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 1623.32 g/mol, XLogP of 21.15, 9 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole;2-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-ylpyridazine;3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159409852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).