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

C20H16FN5O — CID 24952852

IUPAC6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C20H16FN5O/c1-12(2)26-17-11-14(5-8-16(17)23-24-26)19-18(13-3-6-15(21)7-4-13)22-20-25(19)9-10-27-20/h3-12H,1-2H3
InChIKeyKDZJDNMANOVOCL-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.73
Rot. Bonds3

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

6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 24952852) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID24952852
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C20H16FN5O/c1-12(2)26-17-11-14(5-8-16(17)23-24-26)19-18(13-3-6-15(21)7-4-13)22-20-25(19)9-10-27-20/h3-12H,1-2H3
InChIKeyKDZJDNMANOVOCL-UHFFFAOYSA-N
XLogP4.73
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.73
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-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole (CID 24952852) is 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole is CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is KDZJDNMANOVOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-12(2)26-17-11-14(5-8-16(17)23-24-26)19-18(13-3-6-15(21)7-4-13)22-20-25(19)9-10-27-20/h3-12H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 361.38 g/mol, XLogP of 4.73, 3 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-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 24952852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).