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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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).