benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole

C76H104N16O3S — CID 157192095

About benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole

benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole (PubChem CID 157192095) has the molecular formula C76H104N16O3S and a molecular weight of 1321.84 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole.

Molecular Properties

• Compound Name: benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole
• PubChem CID: 157192095
• Molecular Formula: C76H104N16O3S
• Molecular Weight: 1321.84 g/mol
• Exact Mass: 1320.82
• IUPAC Name: benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole
• SMILES: C1=CCC=C1.C1=CCCCC1.C1=CN=CC1.C1=NCc2ccccc21.C1=NN=CC1.C1CCCCC1.C1CCNCC1.C1CNCC2(C1)CCNC2.C1CNNC1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccccc1.c1cocn1.c1cscn1.c1ncon1
• InChI: InChI=1S/C8H16N2.C8H7N.C7H6N2.C7H5NO.C6H12.C6H10.C6H6.C5H11N.C5H6.C4H5N.C3H8N2.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-8(6-9-4-1)3-5-10-7-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-7-6(3-1)8-5-9-7;4*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1/h9-10H,1-7H2;1-5H,6H2;1-5H,(H,8,9);1-5H;1-6H2;1-2H,3-6H2;1-6H;6H,1-5H2;1-4H,5H2;1,3-4H,2H2;4-5H,1-3H2;2-3H,1H2;2*1-3H;1-2H
• InChIKey: APUXRBSMLVJDPF-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 242.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1321.84
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole?

The IUPAC name of benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole (CID 157192095) is benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole.

What is the SMILES notation for benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole?

The canonical SMILES for benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole is C1=CCC=C1.C1=CCCCC1.C1=CN=CC1.C1=NCc2ccccc21.C1=NN=CC1.C1CCCCC1.C1CCNCC1.C1CNCC2(C1)CCNC2.C1CNNC1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccccc1.c1cocn1.c1cscn1.c1ncon1.

What is the InChIKey of benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole?

The InChIKey is APUXRBSMLVJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H7N.C7H6N2.C7H5NO.C6H12.C6H10.C6H6.C5H11N.C5H6.C4H5N.C3H8N2.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-8(6-9-4-1)3-5-10-7-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-7-6(3-1)8-5-9-7;4*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1/h9-10H,1-7H2;1-5H,6H2;1-5H,(H,8,9);1-5H;1-6H2;1-2H,3-6H2;1-6H;6H,1-5H2;1-4H,5H2;1,3-4H,2H2;4-5H,1-3H2;2-3H,1H2;2*1-3H;1-2H.

What are the key properties of benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole?

benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole has a molecular weight of 1321.84 g/mol, XLogP of 16.56, 0 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1H-benzimidazole;1,3-benzoxazole;cyclohexane;cyclohexene;cyclopenta-1,3-diene;2,9-diazaspiro[4.5]decane;1H-isoindole;1,2,4-oxadiazole;1,3-oxazole;piperidine;4H-pyrazole;pyrazolidine;3H-pyrrole;1,3-thiazole is sourced from PubChem (CID 157192095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).