(5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

C11H9F3N2O2 — CID 59367308

IUPAC(5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1N=CO[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-8(10(15)17)16-5-18-9/h1-5,8-9H,(H2,15,17)/t8?,9-/m1/s1
InChIKeyUMXCRNFGCZGRKK-YGPZHTELSA-N
MW258.20 g/mol
LogP1.66
Rot. Bonds2

About (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

(5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 59367308) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID59367308
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name(5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1N=CO[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-8(10(15)17)16-5-18-9/h1-5,8-9H,(H2,15,17)/t8?,9-/m1/s1
InChIKeyUMXCRNFGCZGRKK-YGPZHTELSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 59367308) is (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is NC(=O)C1N=CO[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is UMXCRNFGCZGRKK-YGPZHTELSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-8(10(15)17)16-5-18-9/h1-5,8-9H,(H2,15,17)/t8?,9-/m1/s1.
What are the key properties of (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
(5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 258.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59367308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).