3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide

C24H29N3O2 — CID 46440233

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
SMILESCC(NC(=O)CCc1nc(C(C)(C)C)no1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-17(22(18-11-7-5-8-12-18)19-13-9-6-10-14-19)25-20(28)15-16-21-26-23(27-29-21)24(2,3)4/h5-14,17,22H,15-16H2,1-4H3,(H,25,28)
InChIKeyGVZGXTUNOCKFFR-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.64
Rot. Bonds7

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide (PubChem CID 46440233) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
PubChem CID46440233
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
SMILESCC(NC(=O)CCc1nc(C(C)(C)C)no1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-17(22(18-11-7-5-8-12-18)19-13-9-6-10-14-19)25-20(28)15-16-21-26-23(27-29-21)24(2,3)4/h5-14,17,22H,15-16H2,1-4H3,(H,25,28)
InChIKeyGVZGXTUNOCKFFR-UHFFFAOYSA-N
XLogP4.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1,1-diphenylpropan-2-yl]propanamide
CID 52909110
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 86917615
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 63345170
3-(1,3-benzothiazol-2-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
CID 46432000
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 38585723
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55668527
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783332
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide (CID 46440233) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide is CC(NC(=O)CCc1nc(C(C)(C)C)no1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide?
The InChIKey is GVZGXTUNOCKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(22(18-11-7-5-8-12-18)19-13-9-6-10-14-19)25-20(28)15-16-21-26-23(27-29-21)24(2,3)4/h5-14,17,22H,15-16H2,1-4H3,(H,25,28).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-diphenylpropan-2-yl)propanamide is sourced from PubChem (CID 46440233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).