N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide

C21H22N2O2 — CID 86965796

IUPACN-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(-c2cnco2)cc1)Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-21(2,12-16-6-4-3-5-7-16)14-23-20(24)18-10-8-17(9-11-18)19-13-22-15-25-19/h3-11,13,15H,12,14H2,1-2H3,(H,23,24)
InChIKeyHPARGIOORMGPLO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds6

About N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide

N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 86965796) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide
PubChem CID86965796
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(-c2cnco2)cc1)Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-21(2,12-16-6-4-3-5-7-16)14-23-20(24)18-10-8-17(9-11-18)19-13-22-15-25-19/h3-11,13,15H,12,14H2,1-2H3,(H,23,24)
InChIKeyHPARGIOORMGPLO-UHFFFAOYSA-N
XLogP4.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
CID 47262158
N-[2-(methylamino)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 120826619
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836198
2-[[4-(1,3-oxazol-5-yl)benzoyl]amino]-N-propylbenzamide
CID 47049831
N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate
CID 55835853
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95177148
benzene;5-phenyl-1,3-oxazole
CID 69095044
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95327535
2-[benzyl(methyl)amino]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 86873274

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide (CID 86965796) is N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide is CC(C)(CNC(=O)c1ccc(-c2cnco2)cc1)Cc1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is HPARGIOORMGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-21(2,12-16-6-4-3-5-7-16)14-23-20(24)18-10-8-17(9-11-18)19-13-22-15-25-19/h3-11,13,15H,12,14H2,1-2H3,(H,23,24).
What are the key properties of N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide?
N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 86965796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).