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

C21H21ClN2O3 — CID 18137997

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCCCOc1ccccc1
InChIInChI=1S/C21H21ClN2O3/c22-18-10-5-4-9-17(18)19-15-24-21(27-19)12-11-20(25)23-13-6-14-26-16-7-2-1-3-8-16/h1-5,7-10,15H,6,11-14H2,(H,23,25)
InChIKeyYRHUFOWFMSWIHF-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.51
Rot. Bonds9

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide (PubChem CID 18137997) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
PubChem CID18137997
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCCCOc1ccccc1
InChIInChI=1S/C21H21ClN2O3/c22-18-10-5-4-9-17(18)19-15-24-21(27-19)12-11-20(25)23-13-6-14-26-16-7-2-1-3-8-16/h1-5,7-10,15H,6,11-14H2,(H,23,25)
InChIKeyYRHUFOWFMSWIHF-UHFFFAOYSA-N
XLogP4.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.51
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-(2-naphthalen-2-yloxyethyl)propanamide
CID 16599298
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
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-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 16596708
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
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenoxybutanamide
CID 110323943
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55854482
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-phenylcyclobutyl)propanamide
CID 51316256

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide (CID 18137997) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCCOc1ccccc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide?
The InChIKey is YRHUFOWFMSWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-18-10-5-4-9-17(18)19-15-24-21(27-19)12-11-20(25)23-13-6-14-26-16-7-2-1-3-8-16/h1-5,7-10,15H,6,11-14H2,(H,23,25).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide has a molecular weight of 384.86 g/mol, XLogP of 4.51, 9 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-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 18137997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).