(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C19H17FN2O3 — CID 97465709

IUPAC(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C19H17FN2O3/c1-12(23)13-6-8-16(9-7-13)21-18(24)19(2)11-17(22-25-19)14-4-3-5-15(20)10-14/h3-10H,11H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeySJBDFYRAEPBTRH-LJQANCHMSA-N
MW340.35 g/mol
LogP3.55
Rot. Bonds4

About (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465709) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465709
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C19H17FN2O3/c1-12(23)13-6-8-16(9-7-13)21-18(24)19(2)11-17(22-25-19)14-4-3-5-15(20)10-14/h3-10H,11H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeySJBDFYRAEPBTRH-LJQANCHMSA-N
XLogP3.55
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465709) is (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is CC(=O)c1ccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)cc1.
What is the InChIKey of (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is SJBDFYRAEPBTRH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12(23)13-6-8-16(9-7-13)21-18(24)19(2)11-17(22-25-19)14-4-3-5-15(20)10-14/h3-10H,11H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).