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

C18H13F3N4O — CID 10043925

IUPAC5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)c(F)c3)cn12
InChIInChI=1S/C18H13F3N4O/c1-9(2)18-24-23-14-4-3-10(7-25(14)18)17-16(22-8-26-17)11-5-12(19)15(21)13(20)6-11/h3-9H,1-2H3
InChIKeyLSVSRXQCNHLTNR-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.59
Rot. Bonds3

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

5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole (PubChem CID 10043925) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole
PubChem CID10043925
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)c(F)c3)cn12
InChIInChI=1S/C18H13F3N4O/c1-9(2)18-24-23-14-4-3-10(7-25(14)18)17-16(22-8-26-17)11-5-12(19)15(21)13(20)6-11/h3-9H,1-2H3
InChIKeyLSVSRXQCNHLTNR-UHFFFAOYSA-N
XLogP4.59
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole?
The IUPAC name of 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole (CID 10043925) is 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole is CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)c(F)c3)cn12.
What is the InChIKey of 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole?
The InChIKey is LSVSRXQCNHLTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-9(2)18-24-23-14-4-3-10(7-25(14)18)17-16(22-8-26-17)11-5-12(19)15(21)13(20)6-11/h3-9H,1-2H3.
What are the key properties of 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole?
5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole has a molecular weight of 358.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(3,4,5-trifluorophenyl)-1,3-oxazole is sourced from PubChem (CID 10043925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).