2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C20H17F3N2O3 — CID 57401980

IUPAC2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c1-12(2)27-15-10-8-14(9-11-15)24-18(26)16-17(20(21,22)23)28-19(25-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26)
InChIKeyRMKYGEDZMXVBBQ-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.40
Rot. Bonds5

About 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57401980) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID57401980
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c1-12(2)27-15-10-8-14(9-11-15)24-18(26)16-17(20(21,22)23)28-19(25-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26)
InChIKeyRMKYGEDZMXVBBQ-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 57401980) is 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1.
What is the InChIKey of 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RMKYGEDZMXVBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(2)27-15-10-8-14(9-11-15)24-18(26)16-17(20(21,22)23)28-19(25-16)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26).
What are the key properties of 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57401980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).