3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide

C23H27FN2O2 — CID 88989952

IUPAC3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(C2=NOC(C)(C(C)C)C2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H27FN2O2/c1-14(2)23(5)13-21(26-28-23)18-10-17(16-6-8-20(24)9-7-16)11-19(12-18)22(27)25-15(3)4/h6-12,14-15H,13H2,1-5H3,(H,25,27)
InChIKeyXAUCFMVJYQCNRJ-UHFFFAOYSA-N
MW382.48 g/mol
LogP5.17
Rot. Bonds5

About 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide

3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (PubChem CID 88989952) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
PubChem CID88989952
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(C2=NOC(C)(C(C)C)C2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H27FN2O2/c1-14(2)23(5)13-21(26-28-23)18-10-17(16-6-8-20(24)9-7-16)11-19(12-18)22(27)25-15(3)4/h6-12,14-15H,13H2,1-5H3,(H,25,27)
InChIKeyXAUCFMVJYQCNRJ-UHFFFAOYSA-N
XLogP5.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (CID 88989952) is 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(C2=NOC(C)(C(C)C)C2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The InChIKey is XAUCFMVJYQCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-14(2)23(5)13-21(26-28-23)18-10-17(16-6-8-20(24)9-7-16)11-19(12-18)22(27)25-15(3)4/h6-12,14-15H,13H2,1-5H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide has a molecular weight of 382.48 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 88989952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).