3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide

C19H15ClF2N2O3 — CID 124874631

IUPAC3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESC[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C19H15ClF2N2O3/c1-10(25)16-17(12-2-4-13(20)5-3-12)24-27-18(16)19(26)23-9-11-6-14(21)8-15(22)7-11/h2-8,10,25H,9H2,1H3,(H,23,26)/t10-/m0/s1
InChIKeyFHLMUBBEHSFJPH-JTQLQIEISA-N
MW392.79 g/mol
LogP4.26
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide

3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide (PubChem CID 124874631) has the molecular formula C19H15ClF2N2O3 and a molecular weight of 392.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
PubChem CID124874631
Molecular FormulaC19H15ClF2N2O3
Molecular Weight392.79 g/mol
Exact Mass392.07
IUPAC Name3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESC[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C19H15ClF2N2O3/c1-10(25)16-17(12-2-4-13(20)5-3-12)24-27-18(16)19(26)23-9-11-6-14(21)8-15(22)7-11/h2-8,10,25H,9H2,1H3,(H,23,26)/t10-/m0/s1
InChIKeyFHLMUBBEHSFJPH-JTQLQIEISA-N
XLogP4.26
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
CID 162800225
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
1-[4-[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carbonyl]piperazin-1-yl]ethanone
CID 100631588
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 100632211
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-cyclohexyl-N-ethyl-3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 100630418
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100630826
3-(4-chlorophenyl)-4-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-5-carboxylic acid;hydrochloride
CID 127021197
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
3-(4-chlorophenyl)-4-[(1R)-1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368152
3-(4-chlorophenyl)-4-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 162798289
1-[4-[3-(4-fluorophenyl)-4-(1-hydroxyethyl)-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 162803835

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide (CID 124874631) is 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide is C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FHLMUBBEHSFJPH-JTQLQIEISA-N. The full InChI is InChI=1S/C19H15ClF2N2O3/c1-10(25)16-17(12-2-4-13(20)5-3-12)24-27-18(16)19(26)23-9-11-6-14(21)8-15(22)7-11/h2-8,10,25H,9H2,1H3,(H,23,26)/t10-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 392.79 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-4-[(1S)-1-hydroxyethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124874631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).