1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine

C92H153N11O2S2 — CID 157093905

About 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine

1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine (PubChem CID 157093905) has the molecular formula C92H153N11O2S2 and a molecular weight of 1509.44 g/mol. Its IUPAC name is 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine.

Molecular Properties

• Compound Name: 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine
• PubChem CID: 157093905
• Molecular Formula: C92H153N11O2S2
• Molecular Weight: 1509.44 g/mol
• Exact Mass: 1508.17
• IUPAC Name: 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CNCC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nccc2cccnc12.c1ccc2ocnc2c1.c1ccncc1.c1cnc2cnccc2c1
• InChI: InChI=1S/C12H14N2.C11H13NO.2C10H16N2S.C8H6N2.C7H5NO.C5H5N.3C5H12.7C2H6/c1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;3*1-5(2,3)4;7*1-2/h4-8H,1-3H3;4-7H,1-3H3;2*11H,4-6H2,1-3H3;1-6H;1-5H;1-5H;3*1-4H3;7*1-2H3
• InChIKey: AEZDDICAEYXJBF-UHFFFAOYSA-N
• XLogP: 28.10
• TPSA: 166.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.44
LogP ≤ 5	28.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine?

The IUPAC name of 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine (CID 157093905) is 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine.

What is the SMILES notation for 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine?

The canonical SMILES for 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine is CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CNCC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nccc2cccnc12.c1ccc2ocnc2c1.c1ccncc1.c1cnc2cnccc2c1.

What is the InChIKey of 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine?

The InChIKey is AEZDDICAEYXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H13NO.2C10H16N2S.C8H6N2.C7H5NO.C5H5N.3C5H12.7C2H6/c1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;3*1-5(2,3)4;7*1-2/h4-8H,1-3H3;4-7H,1-3H3;2*11H,4-6H2,1-3H3;1-6H;1-5H;1-5H;3*1-4H3;7*1-2H3.

What are the key properties of 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine?

1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine has a molecular weight of 1509.44 g/mol, XLogP of 28.10, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzoxazole;2-tert-butyl-1,3-benzoxazole;8-tert-butyl-1,7-naphthyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;tris(2,2-dimethylpropane);ethane;1,7-naphthyridine;pyridine is sourced from PubChem (CID 157093905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).