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

C19H17F3N2O2 — CID 16681935

IUPACN-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(c3ccccc3C(F)(F)F)=NO2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-12-6-8-13(9-7-12)11-23-18(25)17-10-16(24-26-17)14-4-2-3-5-15(14)19(20,21)22/h2-9,17H,10-11H2,1H3,(H,23,25)
InChIKeyOLSGLUALQAKBDY-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.82
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681935) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681935
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(c3ccccc3C(F)(F)F)=NO2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-12-6-8-13(9-7-12)11-23-18(25)17-10-16(24-26-17)14-4-2-3-5-15(14)19(20,21)22/h2-9,17H,10-11H2,1H3,(H,23,25)
InChIKeyOLSGLUALQAKBDY-UHFFFAOYSA-N
XLogP3.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681849
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681858
3-[2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681875
N-(4-phenylbutyl)-3-[2-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16681885
3-(3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681946
3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide
CID 16681990
3-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681992
3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681993
N-[(3-bromophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681994
N-propyl-3-[4-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16745467
N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16745472
3-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dibutylamino)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640770

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681935) is N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(CNC(=O)C2CC(c3ccccc3C(F)(F)F)=NO2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OLSGLUALQAKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-6-8-13(9-7-12)11-23-18(25)17-10-16(24-26-17)14-4-2-3-5-15(14)19(20,21)22/h2-9,17H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).