N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide

C19H23F3N2O3 — CID 67058581

IUPACN-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCCCCNC(=O)Cc1cc(-c2ccc(OCCC)cc2C(F)(F)F)no1
InChIInChI=1S/C19H23F3N2O3/c1-3-5-8-23-18(25)12-14-11-17(24-27-14)15-7-6-13(26-9-4-2)10-16(15)19(20,21)22/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,25)
InChIKeyMMVIJLCCUHJLFS-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.61
Rot. Bonds9

About N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide

N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide (PubChem CID 67058581) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide
PubChem CID67058581
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC NameN-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCCCCNC(=O)Cc1cc(-c2ccc(OCCC)cc2C(F)(F)F)no1
InChIInChI=1S/C19H23F3N2O3/c1-3-5-8-23-18(25)12-14-11-17(24-27-14)15-7-6-13(26-9-4-2)10-16(15)19(20,21)22/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,25)
InChIKeyMMVIJLCCUHJLFS-UHFFFAOYSA-N
XLogP4.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide (CID 67058581) is N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide is CCCCNC(=O)Cc1cc(-c2ccc(OCCC)cc2C(F)(F)F)no1.
What is the InChIKey of N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide?
The InChIKey is MMVIJLCCUHJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-3-5-8-23-18(25)12-14-11-17(24-27-14)15-7-6-13(26-9-4-2)10-16(15)19(20,21)22/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,25).
What are the key properties of N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide?
N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide has a molecular weight of 384.40 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67058581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).