1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol

C18H12F2N4O2 — CID 22236878

About 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol

1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol (PubChem CID 22236878) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol.

Molecular Properties

• Compound Name: 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol
• PubChem CID: 22236878
• Molecular Formula: C18H12F2N4O2
• Molecular Weight: 354.32 g/mol
• Exact Mass: 354.09
• IUPAC Name: 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol
• SMILES: OC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CC1
• InChI: InChI=1S/C18H12F2N4O2/c19-11-2-3-12(13(20)7-11)15-16(26-9-21-15)10-1-4-14-22-23-17(24(14)8-10)18(25)5-6-18/h1-4,7-9,25H,5-6H2
• InChIKey: IRLRVJWJKKJBSO-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 76.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.32
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol?

The IUPAC name of 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol (CID 22236878) is 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol.

What is the SMILES notation for 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol?

The canonical SMILES for 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol is OC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CC1.

What is the InChIKey of 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol?

The InChIKey is IRLRVJWJKKJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c19-11-2-3-12(13(20)7-11)15-16(26-9-21-15)10-1-4-14-22-23-17(24(14)8-10)18(25)5-6-18/h1-4,7-9,25H,5-6H2.

What are the key properties of 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol?

1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol has a molecular weight of 354.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropan-1-ol is sourced from PubChem (CID 22236878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).