azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole

C255H469N29O9S — CID 157068361

About azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole

azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 157068361) has the molecular formula C255H469N29O9S and a molecular weight of 4117.82 g/mol. Its IUPAC name is azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 157068361
• Molecular Formula: C255H469N29O9S
• Molecular Weight: 4117.82 g/mol
• Exact Mass: 4114.69
• IUPAC Name: azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
• SMILES: C1C2CC1C2.C1CC1.C1CC2CCC1C2.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.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.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.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)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.c1c[nH]cn1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)OCO2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1
• InChI: InChI=1S/C9H7N.2C9H10.C9H18.C9H12.C8H6N2.C8H16.C7H6O2.C7H12.C7H14.C5H11N.C5H5N.C5H10O.C5H8.3C4H4N2.C4H8O.C4H4O.26C4H10.2C3H4N2.2C3H3NO.C3H3NS.C3H7N.C3H6.2C2H3N3.2C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;2*1-8(2)9-6-4-3-5-7-9;1-2-4-8-7(3-1)9-5-6-10-8;1-7(2)8-5-3-4-6-8;1-2-4-7-6(3-1)8-5-9-7;1-2-7-4-3-6(1)5-7;1-6(2)7-4-3-5-7;3*1-2-4-6-5-3-1;1-4-2-5(1)3-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;26*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-7H;2*1-2,4-5H,3,6-7H2;8-9H,3-7H2,1-2H3;3-8H,1-2H3;1-6H;7-8H,3-6H2,1-2H3;1-4H,5H2;6-7H,1-5H2;6-7H,3-5H2,1-2H3;6H,1-5H2;1-5H;1-5H2;4-5H,1-3H2;3*1-4H;1-4H2;1-4H;26*4H,1-3H3;2*1-3H,(H,4,5);3*1-3H;4H,1-3H2;1-3H2;2*1-2H,(H,3,4,5);2*1-2H
• InChIKey: ACDGXAAMDUGESR-UHFFFAOYSA-N
• XLogP: 78.52
• TPSA: 486.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 4
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4117.82
LogP ≤ 5	78.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole (CID 157068361) is azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole is C1C2CC1C2.C1CC1.C1CC2CCC1C2.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.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.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.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)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.c1c[nH]cn1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)OCO2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.

What is the InChIKey of azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

The InChIKey is ACDGXAAMDUGESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.2C9H10.C9H18.C9H12.C8H6N2.C8H16.C7H6O2.C7H12.C7H14.C5H11N.C5H5N.C5H10O.C5H8.3C4H4N2.C4H8O.C4H4O.26C4H10.2C3H4N2.2C3H3NO.C3H3NS.C3H7N.C3H6.2C2H3N3.2C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;2*1-8(2)9-6-4-3-5-7-9;1-2-4-8-7(3-1)9-5-6-10-8;1-7(2)8-5-3-4-6-8;1-2-4-7-6(3-1)8-5-9-7;1-2-7-4-3-6(1)5-7;1-6(2)7-4-3-5-7;3*1-2-4-6-5-3-1;1-4-2-5(1)3-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;26*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-7H;2*1-2,4-5H,3,6-7H2;8-9H,3-7H2,1-2H3;3-8H,1-2H3;1-6H;7-8H,3-6H2,1-2H3;1-4H,5H2;6-7H,1-5H2;6-7H,3-5H2,1-2H3;6H,1-5H2;1-5H;1-5H2;4-5H,1-3H2;3*1-4H;1-4H2;1-4H;26*4H,1-3H3;2*1-3H,(H,4,5);3*1-3H;4H,1-3H2;1-3H2;2*1-2H,(H,3,4,5);2*1-2H.

What are the key properties of azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?

azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 4117.82 g/mol, XLogP of 78.52, 4 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 157068361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).