5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole

C21H17F2N5O — CID 141490960

IUPAC5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)Cn1nnc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C21H17F2N5O/c1-12(2)11-28-17-10-14(9-16(23)19(17)25-26-28)20-18(13-3-5-15(22)6-4-13)24-21-27(20)7-8-29-21/h3-10,12H,11H2,1-2H3
InChIKeyGWPSACGULRGEJW-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.94
Rot. Bonds4

About 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole

5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 141490960) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID141490960
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)Cn1nnc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C21H17F2N5O/c1-12(2)11-28-17-10-14(9-16(23)19(17)25-26-28)20-18(13-3-5-15(22)6-4-13)24-21-27(20)7-8-29-21/h3-10,12H,11H2,1-2H3
InChIKeyGWPSACGULRGEJW-UHFFFAOYSA-N
XLogP4.94
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 141490960) is 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is CC(C)Cn1nnc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is GWPSACGULRGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-12(2)11-28-17-10-14(9-16(23)19(17)25-26-28)20-18(13-3-5-15(22)6-4-13)24-21-27(20)7-8-29-21/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 393.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 141490960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).