4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C17H17F3N2O4 — CID 56676933

IUPAC4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)11-3-1-10(2-4-11)15-13(9-23)14(22-26-15)16(24)21-12-5-7-25-8-6-12/h1-4,12,23H,5-9H2,(H,21,24)
InChIKeyWLUFUEBKMXNSOQ-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.76
Rot. Bonds4

About 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 56676933) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID56676933
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)11-3-1-10(2-4-11)15-13(9-23)14(22-26-15)16(24)21-12-5-7-25-8-6-12/h1-4,12,23H,5-9H2,(H,21,24)
InChIKeyWLUFUEBKMXNSOQ-UHFFFAOYSA-N
XLogP2.76
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 56676933) is 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WLUFUEBKMXNSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c18-17(19,20)11-3-1-10(2-4-11)15-13(9-23)14(22-26-15)16(24)21-12-5-7-25-8-6-12/h1-4,12,23H,5-9H2,(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56676933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).