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

C21H18FN5O — CID 141490954

IUPAC6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole
SMILESCC(C)Cn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C21H18FN5O/c1-13(2)12-27-18-11-15(5-8-17(18)24-25-27)20-19(14-3-6-16(22)7-4-14)23-21-26(20)9-10-28-21/h3-11,13H,12H2,1-2H3
InChIKeyMEBIAHCCGNSANU-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.80
Rot. Bonds4

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

6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole (PubChem CID 141490954) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole
PubChem CID141490954
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole
SMILESCC(C)Cn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C21H18FN5O/c1-13(2)12-27-18-11-15(5-8-17(18)24-25-27)20-19(14-3-6-16(22)7-4-14)23-21-26(20)9-10-28-21/h3-11,13H,12H2,1-2H3
InChIKeyMEBIAHCCGNSANU-UHFFFAOYSA-N
XLogP4.80
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole with MolForge

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Related Compounds

2-[[3-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 57397055
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-Ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 24952853
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole (CID 141490954) is 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole is CC(C)Cn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole?
The InChIKey is MEBIAHCCGNSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13(2)12-27-18-11-15(5-8-17(18)24-25-27)20-19(14-3-6-16(22)7-4-14)23-21-26(20)9-10-28-21/h3-11,13H,12H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole has a molecular weight of 375.41 g/mol, XLogP of 4.80, 4 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-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 141490954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).