[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine

C97H110F3N15O8 — CID 160735484

IUPAC[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESC.C.C.C.C.C.CC(C)c1cnc(CO)c(-c2cc3ccccc3[nH]2)c1.CC(C)c1cnc(CO)c(-c2nc3c(F)cccc3o2)c1.CC(C)c1cnc(CO)c(-c2nc3ncccc3o2)c1.CC(C)c1cncc(-c2nc3c(F)cccc3o2)c1.CC(C)c1cncc(-c2nc3c(F)cccc3o2)n1.CC(C)c1cncc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C17H18N2O.C16H15FN2O2.C15H13FN2O.C15H15N3O2.C14H12FN3O.C14H13N3O.6CH4/c1-11(2)13-7-14(17(10-20)18-9-13)16-8-12-5-3-4-6-15(12)19-16;1-9(2)10-6-11(13(8-20)18-7-10)16-19-15-12(17)4-3-5-14(15)21-16;1-9(2)10-6-11(8-17-7-10)15-18-14-12(16)4-3-5-13(14)19-15;1-9(2)10-6-11(12(8-19)17-7-10)15-18-14-13(20-15)4-3-5-16-14;1-8(2)10-6-16-7-11(17-10)14-18-13-9(15)4-3-5-12(13)19-14;1-9(2)10-6-11(8-15-7-10)14-17-13-12(18-14)4-3-5-16-13;;;;;;/h3-9,11,19-20H,10H2,1-2H3;3-7,9,20H,8H2,1-2H3;3-9H,1-2H3;3-7,9,19H,8H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;6*1H4
InChIKeyRUWUJCPPZSWLEB-UHFFFAOYSA-N
MW1671.04 g/mol
LogP25.32
Rot. Bonds15

About [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine

[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 160735484) has the molecular formula C97H110F3N15O8 and a molecular weight of 1671.04 g/mol. Its IUPAC name is [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID160735484
Molecular FormulaC97H110F3N15O8
Molecular Weight1671.04 g/mol
Exact Mass1669.86
IUPAC Name[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESC.C.C.C.C.C.CC(C)c1cnc(CO)c(-c2cc3ccccc3[nH]2)c1.CC(C)c1cnc(CO)c(-c2nc3c(F)cccc3o2)c1.CC(C)c1cnc(CO)c(-c2nc3ncccc3o2)c1.CC(C)c1cncc(-c2nc3c(F)cccc3o2)c1.CC(C)c1cncc(-c2nc3c(F)cccc3o2)n1.CC(C)c1cncc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C17H18N2O.C16H15FN2O2.C15H13FN2O.C15H15N3O2.C14H12FN3O.C14H13N3O.6CH4/c1-11(2)13-7-14(17(10-20)18-9-13)16-8-12-5-3-4-6-15(12)19-16;1-9(2)10-6-11(13(8-20)18-7-10)16-19-15-12(17)4-3-5-14(15)21-16;1-9(2)10-6-11(8-17-7-10)15-18-14-12(16)4-3-5-13(14)19-15;1-9(2)10-6-11(12(8-19)17-7-10)15-18-14-13(20-15)4-3-5-16-14;1-8(2)10-6-16-7-11(17-10)14-18-13-9(15)4-3-5-12(13)19-14;1-9(2)10-6-11(8-15-7-10)14-17-13-12(18-14)4-3-5-16-13;;;;;;/h3-9,11,19-20H,10H2,1-2H3;3-7,9,20H,8H2,1-2H3;3-9H,1-2H3;3-7,9,19H,8H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;6*1H4
InChIKeyRUWUJCPPZSWLEB-UHFFFAOYSA-N
XLogP25.32
TPSA322.64 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.04
LogP ≤ 525.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine (CID 160735484) is [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine is C.C.C.C.C.C.CC(C)c1cnc(CO)c(-c2cc3ccccc3[nH]2)c1.CC(C)c1cnc(CO)c(-c2nc3c(F)cccc3o2)c1.CC(C)c1cnc(CO)c(-c2nc3ncccc3o2)c1.CC(C)c1cncc(-c2nc3c(F)cccc3o2)c1.CC(C)c1cncc(-c2nc3c(F)cccc3o2)n1.CC(C)c1cncc(-c2nc3ncccc3o2)c1.
What is the InChIKey of [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is RUWUJCPPZSWLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.C16H15FN2O2.C15H13FN2O.C15H15N3O2.C14H12FN3O.C14H13N3O.6CH4/c1-11(2)13-7-14(17(10-20)18-9-13)16-8-12-5-3-4-6-15(12)19-16;1-9(2)10-6-11(13(8-20)18-7-10)16-19-15-12(17)4-3-5-14(15)21-16;1-9(2)10-6-11(8-17-7-10)15-18-14-12(16)4-3-5-13(14)19-15;1-9(2)10-6-11(12(8-19)17-7-10)15-18-14-13(20-15)4-3-5-16-14;1-8(2)10-6-16-7-11(17-10)14-18-13-9(15)4-3-5-12(13)19-14;1-9(2)10-6-11(8-15-7-10)14-17-13-12(18-14)4-3-5-16-13;;;;;;/h3-9,11,19-20H,10H2,1-2H3;3-7,9,20H,8H2,1-2H3;3-9H,1-2H3;3-7,9,19H,8H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;6*1H4.
What are the key properties of [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 1671.04 g/mol, XLogP of 25.32, 15 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;methane;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 160735484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).