benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole

C108H165N9O3 — CID 157229292

About benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole

benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole (PubChem CID 157229292) has the molecular formula C108H165N9O3 and a molecular weight of 1637.57 g/mol. Its IUPAC name is benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole.

Molecular Properties

• Compound Name: benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
• PubChem CID: 157229292
• Molecular Formula: C108H165N9O3
• Molecular Weight: 1637.57 g/mol
• Exact Mass: 1636.30
• IUPAC Name: benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1ccc(-c2ccno2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1cn(-c2ccccc2)nn1.CC(C)c1nc(-c2ccccc2)no1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C12H14N2.2C12H13NO.C11H13N3.C11H12N2O.C10H8.2C6H6.2C4H10.10C2H6/c1-10(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;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;2*1-4(2)3;10*1-2/h3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;1-8H;2*1-6H;2*4H,1-3H3;10*1-2H3
• InChIKey: ATXOFVXPDMLYFW-UHFFFAOYSA-N
• XLogP: 34.98
• TPSA: 139.51 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.57
LogP ≤ 5	34.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole?

The IUPAC name of benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole (CID 157229292) is benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole.

What is the SMILES notation for benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole?

The canonical SMILES for benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1ccc(-c2ccno2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1cn(-c2ccccc2)nn1.CC(C)c1nc(-c2ccccc2)no1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole?

The InChIKey is ATXOFVXPDMLYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C12H13NO.C11H13N3.C11H12N2O.C10H8.2C6H6.2C4H10.10C2H6/c1-10(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;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;2*1-4(2)3;10*1-2/h3-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;1-8H;2*1-6H;2*4H,1-3H3;10*1-2H3.

What are the key properties of benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole?

benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole has a molecular weight of 1637.57 g/mol, XLogP of 34.98, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;ethane;bis(2-methylpropane);naphthalene;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;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 157229292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).