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

C21H18FN5O — CID 141490962

IUPAC5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C21H18FN5O/c1-21(2,3)27-17-12-14(6-9-16(17)24-25-27)19-18(13-4-7-15(22)8-5-13)23-20-26(19)10-11-28-20/h4-12H,1-3H3
InChIKeyXCEVJMWWJDDLRP-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.90
Rot. Bonds2

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

5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 141490962) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID141490962
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C21H18FN5O/c1-21(2,3)27-17-12-14(6-9-16(17)24-25-27)19-18(13-4-7-15(22)8-5-13)23-20-26(19)10-11-28-20/h4-12H,1-3H3
InChIKeyXCEVJMWWJDDLRP-UHFFFAOYSA-N
XLogP4.90
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 141490962) is 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is CC(C)(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is XCEVJMWWJDDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-21(2,3)27-17-12-14(6-9-16(17)24-25-27)19-18(13-4-7-15(22)8-5-13)23-20-26(19)10-11-28-20/h4-12H,1-3H3.
What are the key properties of 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 375.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 141490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).