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

C19H14FN5O — CID 24952853

IUPAC5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C19H14FN5O/c1-2-25-16-11-13(5-8-15(16)22-23-25)18-17(12-3-6-14(20)7-4-12)21-19-24(18)9-10-26-19/h3-11H,2H2,1H3
InChIKeyUJJLOXVBXQNMNB-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.16
Rot. Bonds3

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

5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 24952853) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID24952853
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C19H14FN5O/c1-2-25-16-11-13(5-8-15(16)22-23-25)18-17(12-3-6-14(20)7-4-12)21-19-24(18)9-10-26-19/h3-11H,2H2,1H3
InChIKeyUJJLOXVBXQNMNB-UHFFFAOYSA-N
XLogP4.16
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 44577212
p38 Kinase inhibitor 7
CID 11338778
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]oxazole
CID 25134688
2-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol
CID 25167840
6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropan-2-ol
CID 49830801
2-[6-[6-(2,4-Difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-ol
CID 49830803
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]oxazole
CID 19022708
6-(4-Fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 24952852
5-(3-Cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 24953203
6-(2,4-Difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
CID 24953204
6-(4-Fluorophenyl)-imidazo[2,1-b]oxazole
CID 57433610

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 24952853) is 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is CCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is UJJLOXVBXQNMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-2-25-16-11-13(5-8-15(16)22-23-25)18-17(12-3-6-14(20)7-4-12)21-19-24(18)9-10-26-19/h3-11H,2H2,1H3.
What are the key properties of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 347.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 24952853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).