1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide

C30H46N2O5 — CID 10577749

IUPAC1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCCCCCCCCCCc1cc(C2(C(=O)Nc3c(OC)cc(OC)cc3OC)CCCC2)no1
InChIInChI=1S/C30H46N2O5/c1-5-6-7-8-9-10-11-12-13-14-17-23-22-27(32-37-23)30(18-15-16-19-30)29(33)31-28-25(35-3)20-24(34-2)21-26(28)36-4/h20-22H,5-19H2,1-4H3,(H,31,33)
InChIKeyHRJCIJYBZMOUED-UHFFFAOYSA-N
MW514.71 g/mol
LogP7.61
Rot. Bonds17

About 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide

1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 10577749) has the molecular formula C30H46N2O5 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID10577749
Molecular FormulaC30H46N2O5
Molecular Weight514.71 g/mol
Exact Mass514.34
IUPAC Name1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCCCCCCCCCCc1cc(C2(C(=O)Nc3c(OC)cc(OC)cc3OC)CCCC2)no1
InChIInChI=1S/C30H46N2O5/c1-5-6-7-8-9-10-11-12-13-14-17-23-22-27(32-37-23)30(18-15-16-19-30)29(33)31-28-25(35-3)20-24(34-2)21-26(28)36-4/h20-22H,5-19H2,1-4H3,(H,31,33)
InChIKeyHRJCIJYBZMOUED-UHFFFAOYSA-N
XLogP7.61
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 9984681
2-(3-Dodecyl-isoxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10075862
2-(3-Dodecyl-isoxazol-5-yl)-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10695292
N-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8494441
2-(5-Dodecyl-isoxazol-3-yl)-N-(2,4,6-trimethoxy-phenyl)-isobutyramide
CID 10743615
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 15996113
N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 808077
N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 4053938
N-(5-acetamido-2-methoxyphenyl)-2-(5-(4-fluorophenyl)isoxazol-3-yl)acetamide
CID 16878910
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16878826
N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878856

Frequently Asked Questions

What is the IUPAC name of 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide (CID 10577749) is 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide is CCCCCCCCCCCCc1cc(C2(C(=O)Nc3c(OC)cc(OC)cc3OC)CCCC2)no1.
What is the InChIKey of 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is HRJCIJYBZMOUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2O5/c1-5-6-7-8-9-10-11-12-13-14-17-23-22-27(32-37-23)30(18-15-16-19-30)29(33)31-28-25(35-3)20-24(34-2)21-26(28)36-4/h20-22H,5-19H2,1-4H3,(H,31,33).
What are the key properties of 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide?
1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 514.71 g/mol, XLogP of 7.61, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 10577749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).