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

C19H15F3N2O2 — CID 6489695

IUPAC5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1-c1ocnc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O2/c1-12-4-2-3-5-15(12)17-16(24-11-26-17)18(25)23-10-13-6-8-14(9-7-13)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)
InChIKeyMCLJRTREUYEREA-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.60
Rot. Bonds4

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

5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 6489695) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID6489695
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1-c1ocnc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O2/c1-12-4-2-3-5-15(12)17-16(24-11-26-17)18(25)23-10-13-6-8-14(9-7-13)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)
InChIKeyMCLJRTREUYEREA-UHFFFAOYSA-N
XLogP4.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 6489695) is 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is Cc1ccccc1-c1ocnc1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is MCLJRTREUYEREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-12-4-2-3-5-15(12)17-16(24-11-26-17)18(25)23-10-13-6-8-14(9-7-13)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25).
What are the key properties of 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 6489695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).