N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide

C19H21F3N2O3 — CID 54399405

IUPACN-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cnc(-c2ccc(OCCC3CCCCC3)cc2)o1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)18(25)24-16-12-23-17(27-16)14-6-8-15(9-7-14)26-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,24,25)
InChIKeyVMIISNUCCMVQPD-UHFFFAOYSA-N
MW382.38 g/mol
LogP5.19
Rot. Bonds6

About N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide

N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 54399405) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID54399405
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cnc(-c2ccc(OCCC3CCCCC3)cc2)o1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)18(25)24-16-12-23-17(27-16)14-6-8-15(9-7-14)26-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,24,25)
InChIKeyVMIISNUCCMVQPD-UHFFFAOYSA-N
XLogP5.19
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide (CID 54399405) is N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide is O=C(Nc1cnc(-c2ccc(OCCC3CCCCC3)cc2)o1)C(F)(F)F.
What is the InChIKey of N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VMIISNUCCMVQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c20-19(21,22)18(25)24-16-12-23-17(27-16)14-6-8-15(9-7-14)26-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,24,25).
What are the key properties of N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide?
N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 382.38 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54399405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).