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

C20H19ClN2O3 — CID 124875243

IUPAC3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
SMILESC[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-12(14-6-4-3-5-7-14)22-20(25)17-18(23-26-19(17)13(2)24)15-8-10-16(21)11-9-15/h3-13,24H,1-2H3,(H,22,25)/t12-,13+/m1/s1
InChIKeyGLOQOWHSMRSGLK-OLZOCXBDSA-N
MW370.84 g/mol
LogP4.54
Rot. Bonds5

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

3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide (PubChem CID 124875243) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
PubChem CID124875243
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
SMILESC[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-12(14-6-4-3-5-7-14)22-20(25)17-18(23-26-19(17)13(2)24)15-8-10-16(21)11-9-15/h3-13,24H,1-2H3,(H,22,25)/t12-,13+/m1/s1
InChIKeyGLOQOWHSMRSGLK-OLZOCXBDSA-N
XLogP4.54
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 163091019
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 100632211
N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159027
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
3-(4-fluorophenyl)-4-(1-hydroxyethyl)-N-(1-phenylethyl)-1,2-oxazole-5-carboxamide
CID 162800225
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide (CID 124875243) is 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide is C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GLOQOWHSMRSGLK-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12(14-6-4-3-5-7-14)22-20(25)17-18(23-26-19(17)13(2)24)15-8-10-16(21)11-9-15/h3-13,24H,1-2H3,(H,22,25)/t12-,13+/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 124875243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).