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

C25H24N2O3 — CID 17163160

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1
InChIInChI=1S/C25H24N2O3/c1-2-3-15-29-21-12-9-19(10-13-21)25(28)26-20-11-14-23-22(17-20)27-24(30-23)16-18-7-5-4-6-8-18/h4-14,17H,2-3,15-16H2,1H3,(H,26,28)
InChIKeyRYBRENVFBCWIAU-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.85
Rot. Bonds8

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

N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide (PubChem CID 17163160) 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-butoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
PubChem CID17163160
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1
InChIInChI=1S/C25H24N2O3/c1-2-3-15-29-21-12-9-19(10-13-21)25(28)26-20-11-14-23-22(17-20)27-24(30-23)16-18-7-5-4-6-8-18/h4-14,17H,2-3,15-16H2,1H3,(H,26,28)
InChIKeyRYBRENVFBCWIAU-UHFFFAOYSA-N
XLogP5.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
4-butoxy-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3877415
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-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 23095104
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 1365609
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-4-butoxybenzamide
CID 3399049

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide (CID 17163160) is N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide?
The InChIKey is RYBRENVFBCWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-3-15-29-21-12-9-19(10-13-21)25(28)26-20-11-14-23-22(17-20)27-24(30-23)16-18-7-5-4-6-8-18/h4-14,17H,2-3,15-16H2,1H3,(H,26,28).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 5.85, 8 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-butoxybenzamide is sourced from PubChem (CID 17163160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).