5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C93H166N16OS — CID 163976468

About 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 163976468) has the molecular formula C93H166N16OS and a molecular weight of 1556.53 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 163976468
• Molecular Formula: C93H166N16OS
• Molecular Weight: 1556.53 g/mol
• Exact Mass: 1555.32
• IUPAC Name: 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c([nH]1)CCCC2.c1cc2n(n1)CCC2.c1cn2c(n1)CCC2.c1cn2c(n1)CCCC2.c1n[nH]c2c1CCC2.c1nc2c(s1)CCC2.c1ncn2c1CCC2.c1nnc2n1CCCC2.c1noc2c1CCC2
• InChI: InChI=1S/C8H11N.C7H10N2.C6H9N3.4C6H8N2.C6H7NO.C6H7NS.9C4H10/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-6-3-4-7-8(6)5-1;1-2-6-7-3-5-8(6)4-1;1-2-6-4-7-5-8(6)3-1;2*1-2-5-4-7-8-6(5)3-1;1-2-5-6(3-1)8-4-7-5;9*1-4(2)3/h5-6,9H,1-4H2;4,6H,1-3,5H2;5H,1-4H2;3-4H,1-2,5H2;3,5H,1-2,4H2;4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;9*4H,1-3H3
• InChIKey: SUOQRHDYLWUBEY-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 185.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.53
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 163976468) is 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c([nH]1)CCCC2.c1cc2n(n1)CCC2.c1cn2c(n1)CCC2.c1cn2c(n1)CCCC2.c1n[nH]c2c1CCC2.c1nc2c(s1)CCC2.c1ncn2c1CCC2.c1nnc2n1CCCC2.c1noc2c1CCC2.

What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is SUOQRHDYLWUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H10N2.C6H9N3.4C6H8N2.C6H7NO.C6H7NS.9C4H10/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-6-3-4-7-8(6)5-1;1-2-6-7-3-5-8(6)4-1;1-2-6-4-7-5-8(6)3-1;2*1-2-5-4-7-8-6(5)3-1;1-2-5-6(3-1)8-4-7-5;9*1-4(2)3/h5-6,9H,1-4H2;4,6H,1-3,5H2;5H,1-4H2;3-4H,1-2,5H2;3,5H,1-2,4H2;4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;9*4H,1-3H3.

What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?

5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1556.53 g/mol, XLogP of 24.87, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 163976468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).