ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine

C137H165N11O3 — CID 160508821

About ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine

ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine (PubChem CID 160508821) has the molecular formula C137H165N11O3 and a molecular weight of 2013.90 g/mol. Its IUPAC name is ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

• Compound Name: ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine
• PubChem CID: 160508821
• Molecular Formula: C137H165N11O3
• Molecular Weight: 2013.90 g/mol
• Exact Mass: 2012.31
• IUPAC Name: ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine
• SMILES: CC.CC.CC.CC.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2ccno2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cn(-c2ccccc2)nn1.CC(C)c1nc(-c2ccccc2)no1
• InChI: InChI=1S/2C15H16.2C14H15N.C13H14.C12H14N2.2C12H13NO.C11H13N3.C11H12N2O.4C2H6/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;4*1-2/h2*3-12H,1-2H3;2*3-11H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;4*1-2H3
• InChIKey: QSTSAQZVNRPEDE-UHFFFAOYSA-N
• XLogP: 39.94
• TPSA: 165.29 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.90
LogP ≤ 5	39.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine?

The IUPAC name of ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine (CID 160508821) is ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine.

What is the SMILES notation for ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine?

The canonical SMILES for ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine is CC.CC.CC.CC.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2ccno2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cn(-c2ccccc2)nn1.CC(C)c1nc(-c2ccccc2)no1.

What is the InChIKey of ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine?

The InChIKey is QSTSAQZVNRPEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16.2C14H15N.C13H14.C12H14N2.2C12H13NO.C11H13N3.C11H12N2O.4C2H6/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;4*1-2/h2*3-12H,1-2H3;2*3-11H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;4*1-2H3.

What are the key properties of ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine?

ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine has a molecular weight of 2013.90 g/mol, XLogP of 39.94, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 160508821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).