4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole

C18H17FN4O — CID 71007138

IUPAC4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)n1nnc2ccc(C3OC=NC3c3ccc(F)cc3)cc21
InChIInChI=1S/C18H17FN4O/c1-11(2)23-16-9-13(5-8-15(16)21-22-23)18-17(20-10-24-18)12-3-6-14(19)7-4-12/h3-11,17-18H,1-2H3
InChIKeyCVSNUNWFBPWZDW-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.99
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole

4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 71007138) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole
PubChem CID71007138
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)n1nnc2ccc(C3OC=NC3c3ccc(F)cc3)cc21
InChIInChI=1S/C18H17FN4O/c1-11(2)23-16-9-13(5-8-15(16)21-22-23)18-17(20-10-24-18)12-3-6-14(19)7-4-12/h3-11,17-18H,1-2H3
InChIKeyCVSNUNWFBPWZDW-UHFFFAOYSA-N
XLogP3.99
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole (CID 71007138) is 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole is CC(C)n1nnc2ccc(C3OC=NC3c3ccc(F)cc3)cc21.
What is the InChIKey of 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CVSNUNWFBPWZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11(2)23-16-9-13(5-8-15(16)21-22-23)18-17(20-10-24-18)12-3-6-14(19)7-4-12/h3-11,17-18H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole?
4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 324.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71007138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).