2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide

C26H33ClN4O3 — CID 25066896

IUPAC2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)noc3c2)CC1
InChIInChI=1S/C26H33ClN4O3/c1-29(2)25(32)19-31-15-13-30(14-16-31)12-4-3-5-17-33-22-10-11-23-24(18-22)34-28-26(23)20-6-8-21(27)9-7-20/h6-11,18H,3-5,12-17,19H2,1-2H3
InChIKeyWWDVTCOAGAMDBN-UHFFFAOYSA-N
MW485.03 g/mol
LogP4.40
Rot. Bonds10

About 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 25066896) has the molecular formula C26H33ClN4O3 and a molecular weight of 485.03 g/mol. Its IUPAC name is 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID25066896
Molecular FormulaC26H33ClN4O3
Molecular Weight485.03 g/mol
Exact Mass484.22
IUPAC Name2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)noc3c2)CC1
InChIInChI=1S/C26H33ClN4O3/c1-29(2)25(32)19-31-15-13-30(14-16-31)12-4-3-5-17-33-22-10-11-23-24(18-22)34-28-26(23)20-6-8-21(27)9-7-20/h6-11,18H,3-5,12-17,19H2,1-2H3
InChIKeyWWDVTCOAGAMDBN-UHFFFAOYSA-N
XLogP4.40
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24995255
2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 69190292
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24996849
2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25006326
2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25007091
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887
ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 14012526
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-ethylacetamide
CID 25065860
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 25065250
2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87732200
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
CID 24995257
2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
CID 69170073

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 25066896) is 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)noc3c2)CC1.
What is the InChIKey of 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is WWDVTCOAGAMDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O3/c1-29(2)25(32)19-31-15-13-30(14-16-31)12-4-3-5-17-33-22-10-11-23-24(18-22)34-28-26(23)20-6-8-21(27)9-7-20/h6-11,18H,3-5,12-17,19H2,1-2H3.
What are the key properties of 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 485.03 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 25066896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).