N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide

C24H28N4O3 — CID 1105606

IUPACN-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1
InChIInChI=1S/C24H28N4O3/c1-23(2,3)21(29)25-17-11-7-9-15(13-17)19-27-28-20(31-19)16-10-8-12-18(14-16)26-22(30)24(4,5)6/h7-14H,1-6H3,(H,25,29)(H,26,30)
InChIKeyFHVKKVCFAPFMAN-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.37
Rot. Bonds4

About N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide

N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 1105606) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID1105606
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1
InChIInChI=1S/C24H28N4O3/c1-23(2,3)21(29)25-17-11-7-9-15(13-17)19-27-28-20(31-19)16-10-8-12-18(14-16)26-22(30)24(4,5)6/h7-14H,1-6H3,(H,25,29)(H,26,30)
InChIKeyFHVKKVCFAPFMAN-UHFFFAOYSA-N
XLogP5.37
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide (CID 1105606) is N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1.
What is the InChIKey of N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is FHVKKVCFAPFMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-23(2,3)21(29)25-17-11-7-9-15(13-17)19-27-28-20(31-19)16-10-8-12-18(14-16)26-22(30)24(4,5)6/h7-14H,1-6H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 420.51 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-(2,2-dimethylpropanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1105606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).