4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole

C18H15FN4O — CID 138115348

IUPAC4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3
InChIKeyFOQLCYIBXICLES-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.05
Rot. Bonds2

About 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole

4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 138115348) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID138115348
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3
InChIKeyFOQLCYIBXICLES-UHFFFAOYSA-N
XLogP4.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole (CID 138115348) is 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12.
What is the InChIKey of 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FOQLCYIBXICLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3.
What are the key properties of 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole?
4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 322.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 138115348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).