N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide

C24H22N2O3 — CID 30308165

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C24H22N2O3/c1-24(2,29-19-11-7-4-8-12-19)23(27)25-18-13-14-21-20(16-18)26-22(28-21)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyPOIREGGWUIDUOI-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.21
Rot. Bonds6

About N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide (PubChem CID 30308165) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
PubChem CID30308165
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C24H22N2O3/c1-24(2,29-19-11-7-4-8-12-19)23(27)25-18-13-14-21-20(16-18)26-22(28-21)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyPOIREGGWUIDUOI-UHFFFAOYSA-N
XLogP5.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
CID 17163170

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide (CID 30308165) is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide?
The InChIKey is POIREGGWUIDUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-24(2,29-19-11-7-4-8-12-19)23(27)25-18-13-14-21-20(16-18)26-22(28-21)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide has a molecular weight of 386.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).