5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole

C87H97N9O7 — CID 159406872

About 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole

5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole (PubChem CID 159406872) has the molecular formula C87H97N9O7 and a molecular weight of 1380.79 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole
• PubChem CID: 159406872
• Molecular Formula: C87H97N9O7
• Molecular Weight: 1380.79 g/mol
• Exact Mass: 1379.75
• IUPAC Name: 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole
• SMILES: CC.CCC(C)c1ccc2oc(C)nc2c1.CCCc1ccc2oc(C)nc2c1.Cc1ccc2nc(C)oc2c1.Cc1nc2c(C)cccc2o1.Cc1nc2cc(-c3ccccc3)ccc2o1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1.c1ccn2ccnc2c1
• InChI: InChI=1S/C14H11NO.2C12H15NO.2C11H13NO.2C9H9NO.C7H6N2.C2H6/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-4-8(2)10-5-6-12-11(7-10)13-9(3)14-12;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-3-4-9-5-6-11-10(7-9)12-8(2)13-11;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-4-3-5-8-9(6)10-7(2)11-8;1-2-5-9-6-4-8-7(9)3-1;1-2/h2-9H,1H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3;5-7H,3-4H2,1-2H3;2*3-5H,1-2H3;1-6H;1-2H3
• InChIKey: LOBMPPFSZNVDLA-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 199.51 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.79
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole?

The IUPAC name of 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole (CID 159406872) is 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole.

What is the SMILES notation for 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole?

The canonical SMILES for 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole is CC.CCC(C)c1ccc2oc(C)nc2c1.CCCc1ccc2oc(C)nc2c1.Cc1ccc2nc(C)oc2c1.Cc1nc2c(C)cccc2o1.Cc1nc2cc(-c3ccccc3)ccc2o1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1.c1ccn2ccnc2c1.

What is the InChIKey of 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole?

The InChIKey is LOBMPPFSZNVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.2C12H15NO.2C11H13NO.2C9H9NO.C7H6N2.C2H6/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-4-8(2)10-5-6-12-11(7-10)13-9(3)14-12;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-3-4-9-5-6-11-10(7-9)12-8(2)13-11;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-4-3-5-8-9(6)10-7(2)11-8;1-2-5-9-6-4-8-7(9)3-1;1-2/h2-9H,1H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3;5-7H,3-4H2,1-2H3;2*3-5H,1-2H3;1-6H;1-2H3.

What are the key properties of 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole?

5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole has a molecular weight of 1380.79 g/mol, XLogP of 24.48, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butan-2-yl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2,4-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;2-methyl-5-phenyl-1,3-benzoxazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;2-methyl-5-propyl-1,3-benzoxazole is sourced from PubChem (CID 159406872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).