4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole

C19H14F2N4O — CID 10089343

IUPAC4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESCC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1
InChIInChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3
InChIKeyFDYFXQHQKJEWQH-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.38
Rot. Bonds3

About 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole

4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (PubChem CID 10089343) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
PubChem CID10089343
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESCC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1
InChIInChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3
InChIKeyFDYFXQHQKJEWQH-UHFFFAOYSA-N
XLogP4.38
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
CID 22236875
5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
CID 10316101
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
5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
CID 22236866
5-[3-(1-butylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-(2,4,5-trifluorophenyl)-1,3-oxazole
CID 22242052
4-(2-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23647319
6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227815
4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23647338
4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23433783
4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23647336
6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 164989776
6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 129277194

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The IUPAC name of 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (CID 10089343) is 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.
What is the SMILES notation for 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The canonical SMILES for 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is CC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The InChIKey is FDYFXQHQKJEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole has a molecular weight of 352.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is sourced from PubChem (CID 10089343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).