N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C23H29F3N2O2 — CID 84557279

IUPACN-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H29F3N2O2/c24-23(25,26)18-14-12-17(13-15-18)22-28-20(16-30-22)21(29)27-19-10-8-6-4-2-1-3-5-7-9-11-19/h12-16,19H,1-11H2,(H,27,29)
InChIKeyUJWDEQPUEWNKRY-UHFFFAOYSA-N
MW422.49 g/mol
LogP6.76
Rot. Bonds3

About N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84557279) has the molecular formula C23H29F3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84557279
Molecular FormulaC23H29F3N2O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H29F3N2O2/c24-23(25,26)18-14-12-17(13-15-18)22-28-20(16-30-22)21(29)27-19-10-8-6-4-2-1-3-5-7-9-11-19/h12-16,19H,1-11H2,(H,27,29)
InChIKeyUJWDEQPUEWNKRY-UHFFFAOYSA-N
XLogP6.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84557279) is N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(NC1CCCCCCCCCCC1)c1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UJWDEQPUEWNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O2/c24-23(25,26)18-14-12-17(13-15-18)22-28-20(16-30-22)21(29)27-19-10-8-6-4-2-1-3-5-7-9-11-19/h12-16,19H,1-11H2,(H,27,29).
What are the key properties of N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 6.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84557279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).