6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole

C18H12FN5O — CID 141490955

IUPAC6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C18H12FN5O/c1-23-15-10-12(4-7-14(15)21-22-23)17-16(11-2-5-13(19)6-3-11)20-18-24(17)8-9-25-18/h2-10H,1H3
InChIKeyMFDBOMAQAWQERE-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.68
Rot. Bonds2

About 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 141490955) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID141490955
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C18H12FN5O/c1-23-15-10-12(4-7-14(15)21-22-23)17-16(11-2-5-13(19)6-3-11)20-18-24(17)8-9-25-18/h2-10H,1H3
InChIKeyMFDBOMAQAWQERE-UHFFFAOYSA-N
XLogP3.68
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole (CID 141490955) is 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole is Cn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is MFDBOMAQAWQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c1-23-15-10-12(4-7-14(15)21-22-23)17-16(11-2-5-13(19)6-3-11)20-18-24(17)8-9-25-18/h2-10H,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 333.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 141490955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).