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

C24H29FN2O2 — CID 88989931

IUPAC3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(C)(C(C)C)C3)c2)c(F)c1
InChIInChI=1S/C24H29FN2O2/c1-14(2)24(6)13-22(27-29-24)18-10-17(20-8-7-16(5)9-21(20)25)11-19(12-18)23(28)26-15(3)4/h7-12,14-15H,13H2,1-6H3,(H,26,28)
InChIKeyAUAWYRHZETZHCK-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.48
Rot. Bonds5

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

3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (PubChem CID 88989931) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
PubChem CID88989931
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(C)(C(C)C)C3)c2)c(F)c1
InChIInChI=1S/C24H29FN2O2/c1-14(2)24(6)13-22(27-29-24)18-10-17(20-8-7-16(5)9-21(20)25)11-19(12-18)23(28)26-15(3)4/h7-12,14-15H,13H2,1-6H3,(H,26,28)
InChIKeyAUAWYRHZETZHCK-UHFFFAOYSA-N
XLogP5.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (CID 88989931) is 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is Cc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC(C)(C(C)C)C3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The InChIKey is AUAWYRHZETZHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-14(2)24(6)13-22(27-29-24)18-10-17(20-8-7-16(5)9-21(20)25)11-19(12-18)23(28)26-15(3)4/h7-12,14-15H,13H2,1-6H3,(H,26,28).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide has a molecular weight of 396.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 88989931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).