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

C15H13F3N4O3 — CID 135153814

IUPACN,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)C1CC(c2ccc(-c3noc(C(F)(F)F)n3)cc2)=NO1
InChIInChI=1S/C15H13F3N4O3/c1-22(2)13(23)11-7-10(20-24-11)8-3-5-9(6-4-8)12-19-14(25-21-12)15(16,17)18/h3-6,11H,7H2,1-2H3
InChIKeyOJRJRICCSUNVNA-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.34
Rot. Bonds3

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

N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 135153814) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID135153814
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)C1CC(c2ccc(-c3noc(C(F)(F)F)n3)cc2)=NO1
InChIInChI=1S/C15H13F3N4O3/c1-22(2)13(23)11-7-10(20-24-11)8-3-5-9(6-4-8)12-19-14(25-21-12)15(16,17)18/h3-6,11H,7H2,1-2H3
InChIKeyOJRJRICCSUNVNA-UHFFFAOYSA-N
XLogP2.34
TPSA80.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 135153814) is N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C)C(=O)C1CC(c2ccc(-c3noc(C(F)(F)F)n3)cc2)=NO1.
What is the InChIKey of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OJRJRICCSUNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-22(2)13(23)11-7-10(20-24-11)8-3-5-9(6-4-8)12-19-14(25-21-12)15(16,17)18/h3-6,11H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135153814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).