N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide

C22H29F3N2O2 — CID 67841565

IUPACN-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide
SMILESCCCCCCCCCCCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H29F3N2O2/c1-2-3-4-5-6-7-8-9-10-11-20-19(16-26-29-20)21(28)27-18-14-12-17(13-15-18)22(23,24)25/h12-16H,2-11H2,1H3,(H,27,28)
InChIKeyFEGSRKHDGVRYDF-UHFFFAOYSA-N
MW410.48 g/mol
LogP7.02
Rot. Bonds12

About N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide

N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide (PubChem CID 67841565) has the molecular formula C22H29F3N2O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide
PubChem CID67841565
Molecular FormulaC22H29F3N2O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide
SMILESCCCCCCCCCCCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H29F3N2O2/c1-2-3-4-5-6-7-8-9-10-11-20-19(16-26-29-20)21(28)27-18-14-12-17(13-15-18)22(23,24)25/h12-16H,2-11H2,1H3,(H,27,28)
InChIKeyFEGSRKHDGVRYDF-UHFFFAOYSA-N
XLogP7.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide (CID 67841565) is N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide is CCCCCCCCCCCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide?
The InChIKey is FEGSRKHDGVRYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O2/c1-2-3-4-5-6-7-8-9-10-11-20-19(16-26-29-20)21(28)27-18-14-12-17(13-15-18)22(23,24)25/h12-16H,2-11H2,1H3,(H,27,28).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide?
N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 7.02, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 67841565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).