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

C19H14F2N4O2 — CID 22236875

IUPAC4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESCOC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1
InChIInChI=1S/C19H14F2N4O2/c1-26-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-27-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3
InChIKeyAYORLLWBKBJHAL-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.96
Rot. Bonds4

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

4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (PubChem CID 22236875) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
PubChem CID22236875
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESCOC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1
InChIInChI=1S/C19H14F2N4O2/c1-26-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-27-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3
InChIKeyAYORLLWBKBJHAL-UHFFFAOYSA-N
XLogP3.96
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
CID 9949821
Triazolopyridine oxazole inhibitor 61
CID 9975266
Triazolopyridine
CID 5289514
Triazolopyridine oxazole inhibitor 55
CID 23647339
Triazolopyridine oxazole inhibitor 56
CID 23647340
Triazolopyridine oxazole inhibitor 6
CID 9902305
Triazolopyridine oxazole inhibitor 71
CID 9906682
Triazolopyridine oxazole inhibitor 32
CID 9922441
Triazolopyridine oxazole inhibitor 46
CID 9923086
Triazolopyridine oxazole inhibitor 41
CID 9944440
Triazolopyridine oxazole inhibitor 33
CID 9944763
Triazolopyridine oxazole inhibitor 3
CID 9944851

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The IUPAC name of 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (CID 22236875) is 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[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-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The canonical SMILES for 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is COC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The InChIKey is AYORLLWBKBJHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-26-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-27-17)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-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole has a molecular weight of 368.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-5-[3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is sourced from PubChem (CID 22236875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).