3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide

C24H21ClN2O3 — CID 16599298

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C24H21ClN2O3/c25-21-8-4-3-7-20(21)22-16-27-24(30-22)12-11-23(28)26-13-14-29-19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15-16H,11-14H2,(H,26,28)
InChIKeyVFSNURNSMDSYFH-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.28
Rot. Bonds8

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide (PubChem CID 16599298) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide
PubChem CID16599298
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C24H21ClN2O3/c25-21-8-4-3-7-20(21)22-16-27-24(30-22)12-11-23(28)26-13-14-29-19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15-16H,11-14H2,(H,26,28)
InChIKeyVFSNURNSMDSYFH-UHFFFAOYSA-N
XLogP5.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
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3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(4-methoxyanilino)acetyl]propanehydrazide
CID 55497381
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351
N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119640145
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55854482
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide (CID 16599298) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCOc1ccc2ccccc2c1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide?
The InChIKey is VFSNURNSMDSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-21-8-4-3-7-20(21)22-16-27-24(30-22)12-11-23(28)26-13-14-29-19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15-16H,11-14H2,(H,26,28).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide has a molecular weight of 420.90 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide is sourced from PubChem (CID 16599298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).