3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide

C22H23ClN2O3 — CID 29467289

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OC)cc1
InChIInChI=1S/C22H23ClN2O3/c1-3-19(15-6-10-18(27-2)11-7-15)25-21(26)12-13-22-24-14-20(28-22)16-4-8-17(23)9-5-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyBWKGAUOUVPAADK-LJQANCHMSA-N
MW398.89 g/mol
LogP5.20
Rot. Bonds8

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide (PubChem CID 29467289) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
PubChem CID29467289
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OC)cc1
InChIInChI=1S/C22H23ClN2O3/c1-3-19(15-6-10-18(27-2)11-7-15)25-21(26)12-13-22-24-14-20(28-22)16-4-8-17(23)9-5-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyBWKGAUOUVPAADK-LJQANCHMSA-N
XLogP5.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 96541271
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86962574
(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 52765671
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide
CID 86889136
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
CID 46447057
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide (CID 29467289) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide is CC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OC)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide?
The InChIKey is BWKGAUOUVPAADK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-3-19(15-6-10-18(27-2)11-7-15)25-21(26)12-13-22-24-14-20(28-22)16-4-8-17(23)9-5-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26)/t19-/m1/s1.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide has a molecular weight of 398.89 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 29467289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).