N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H15F3N2O2 — CID 16745467

IUPACN-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)=NO1
InChIInChI=1S/C14H15F3N2O2/c1-2-7-18-13(20)12-8-11(19-21-12)9-3-5-10(6-4-9)14(15,16)17/h3-6,12H,2,7-8H2,1H3,(H,18,20)
InChIKeyFWXRCHNTNQKLKZ-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.72
Rot. Bonds4

About N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16745467) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16745467
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)=NO1
InChIInChI=1S/C14H15F3N2O2/c1-2-7-18-13(20)12-8-11(19-21-12)9-3-5-10(6-4-9)14(15,16)17/h3-6,12H,2,7-8H2,1H3,(H,18,20)
InChIKeyFWXRCHNTNQKLKZ-UHFFFAOYSA-N
XLogP2.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide 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-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16745467) is N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)=NO1.
What is the InChIKey of N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FWXRCHNTNQKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-2-7-18-13(20)12-8-11(19-21-12)9-3-5-10(6-4-9)14(15,16)17/h3-6,12H,2,7-8H2,1H3,(H,18,20).
What are the key properties of N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16745467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).