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

C18H14ClFN4O — CID 23433783

IUPAC4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-4-12(8-24(15)18)17-16(21-9-25-17)11-3-5-14(20)13(19)7-11/h3-10H,1-2H3
InChIKeyCTYRURASUKIBHM-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.97
Rot. Bonds3

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

4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (PubChem CID 23433783) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
PubChem CID23433783
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-4-12(8-24(15)18)17-16(21-9-25-17)11-3-5-14(20)13(19)7-11/h3-10H,1-2H3
InChIKeyCTYRURASUKIBHM-UHFFFAOYSA-N
XLogP4.97
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 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) is 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The InChIKey is CTYRURASUKIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-4-12(8-24(15)18)17-16(21-9-25-17)11-3-5-14(20)13(19)7-11/h3-10H,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole has a molecular weight of 356.79 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 23433783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).