3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide

C20H19FN2O3 — CID 162800225

IUPAC3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCC(O)c1c(-c2ccc(F)cc2)noc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H19FN2O3/c1-12(14-6-4-3-5-7-14)22-20(25)19-17(13(2)24)18(23-26-19)15-8-10-16(21)11-9-15/h3-13,24H,1-2H3,(H,22,25)
InChIKeyOACXJEILMCXGGL-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 162800225) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
PubChem CID162800225
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCC(O)c1c(-c2ccc(F)cc2)noc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H19FN2O3/c1-12(14-6-4-3-5-7-14)22-20(25)19-17(13(2)24)18(23-26-19)15-8-10-16(21)11-9-15/h3-13,24H,1-2H3,(H,22,25)
InChIKeyOACXJEILMCXGGL-UHFFFAOYSA-N
XLogP4.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 100630633
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
3-(4-fluorophenyl)-4-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368173
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771614
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 124874631
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100630826
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 163002409
1-[4-[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 162803835
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 100630711

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide (CID 162800225) is 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide is CC(O)c1c(-c2ccc(F)cc2)noc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OACXJEILMCXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12(14-6-4-3-5-7-14)22-20(25)19-17(13(2)24)18(23-26-19)15-8-10-16(21)11-9-15/h3-13,24H,1-2H3,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).