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

C20H19F3N2O2 — CID 16681850

IUPACN-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-13-2-4-14(5-3-13)10-11-24-19(26)18-12-17(25-27-18)15-6-8-16(9-7-15)20(21,22)23/h2-9,18H,10-12H2,1H3,(H,24,26)
InChIKeyFDZPNPFLMKHPEZ-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.87
Rot. Bonds5

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

N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681850) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681850
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-13-2-4-14(5-3-13)10-11-24-19(26)18-12-17(25-27-18)15-6-8-16(9-7-15)20(21,22)23/h2-9,18H,10-12H2,1H3,(H,24,26)
InChIKeyFDZPNPFLMKHPEZ-UHFFFAOYSA-N
XLogP3.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681850) is N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(CCNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FDZPNPFLMKHPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13-2-4-14(5-3-13)10-11-24-19(26)18-12-17(25-27-18)15-6-8-16(9-7-15)20(21,22)23/h2-9,18H,10-12H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).