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

C23H26F2N2O2 — CID 88989899

IUPAC3-(2,4-difluorophenyl)-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)cc2F)c1
InChIInChI=1S/C23H26F2N2O2/c1-13(2)23(5)12-21(27-29-23)16-8-15(19-7-6-18(24)11-20(19)25)9-17(10-16)22(28)26-14(3)4/h6-11,13-14H,12H2,1-5H3,(H,26,28)
InChIKeyGDJNRXGRBWSKIP-UHFFFAOYSA-N
MW400.47 g/mol
LogP5.31
Rot. Bonds5

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

3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (PubChem CID 88989899) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
PubChem CID88989899
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name3-(2,4-difluorophenyl)-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)cc2F)c1
InChIInChI=1S/C23H26F2N2O2/c1-13(2)23(5)12-21(27-29-23)16-8-15(19-7-6-18(24)11-20(19)25)9-17(10-16)22(28)26-14(3)4/h6-11,13-14H,12H2,1-5H3,(H,26,28)
InChIKeyGDJNRXGRBWSKIP-UHFFFAOYSA-N
XLogP5.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (CID 88989899) is 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-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)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The InChIKey is GDJNRXGRBWSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c1-13(2)23(5)12-21(27-29-23)16-8-15(19-7-6-18(24)11-20(19)25)9-17(10-16)22(28)26-14(3)4/h6-11,13-14H,12H2,1-5H3,(H,26,28).
What are the key properties of 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide has a molecular weight of 400.47 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 88989899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).