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

C16H17F3N2O4 — CID 56673610

IUPACN-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C16H17F3N2O4/c1-2-11(7-22)20-15(24)13-12(8-23)14(25-21-13)9-3-5-10(6-4-9)16(17,18)19/h3-6,11,22-23H,2,7-8H2,1H3,(H,20,24)/t11-/m1/s1
InChIKeyHFPFKSNXDJLDLO-LLVKDONJSA-N
MW358.32 g/mol
LogP2.35
Rot. Bonds6

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

N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 56673610) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID56673610
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C16H17F3N2O4/c1-2-11(7-22)20-15(24)13-12(8-23)14(25-21-13)9-3-5-10(6-4-9)16(17,18)19/h3-6,11,22-23H,2,7-8H2,1H3,(H,20,24)/t11-/m1/s1
InChIKeyHFPFKSNXDJLDLO-LLVKDONJSA-N
XLogP2.35
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 56673610) is N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is CC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HFPFKSNXDJLDLO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c1-2-11(7-22)20-15(24)13-12(8-23)14(25-21-13)9-3-5-10(6-4-9)16(17,18)19/h3-6,11,22-23H,2,7-8H2,1H3,(H,20,24)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56673610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).