N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide

C25H24N2O3 — CID 17163233

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1
InChIInChI=1S/C25H24N2O3/c1-17(2)16-29-21-11-8-19(9-12-21)25(28)26-20-10-13-23-22(15-20)27-24(30-23)14-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)
InChIKeyAKCGUMCROUNGMV-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.71
Rot. Bonds7

About N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide (PubChem CID 17163233) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
PubChem CID17163233
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1
InChIInChI=1S/C25H24N2O3/c1-17(2)16-29-21-11-8-19(9-12-21)25(28)26-20-10-13-23-22(15-20)27-24(30-23)14-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)
InChIKeyAKCGUMCROUNGMV-UHFFFAOYSA-N
XLogP5.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-(2-methylpropoxy)benzamide
CID 135645665
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-4-propan-2-yloxybenzamide
CID 54858364
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857952

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide (CID 17163233) is N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide?
The InChIKey is AKCGUMCROUNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17(2)16-29-21-11-8-19(9-12-21)25(28)26-20-10-13-23-22(15-20)27-24(30-23)14-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,26,28).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.71, 7 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)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17163233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).