3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride

C16H22Cl3N3O2 — CID 119429994

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
SMILESCNCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1.Cl.Cl
InChIInChI=1S/C16H20ClN3O2.2ClH/c1-18-9-4-10-19-15(21)7-8-16-20-11-14(22-16)12-5-2-3-6-13(12)17;;/h2-3,5-6,11,18H,4,7-10H2,1H3,(H,19,21);2*1H
InChIKeyGQIDFUODNTWGAD-UHFFFAOYSA-N
MW394.73 g/mol
LogP3.50
Rot. Bonds8

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride (PubChem CID 119429994) has the molecular formula C16H22Cl3N3O2 and a molecular weight of 394.73 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
PubChem CID119429994
Molecular FormulaC16H22Cl3N3O2
Molecular Weight394.73 g/mol
Exact Mass393.08
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
SMILESCNCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1.Cl.Cl
InChIInChI=1S/C16H20ClN3O2.2ClH/c1-18-9-4-10-19-15(21)7-8-16-20-11-14(22-16)12-5-2-3-6-13(12)17;;/h2-3,5-6,11,18H,4,7-10H2,1H3,(H,19,21);2*1H
InChIKeyGQIDFUODNTWGAD-UHFFFAOYSA-N
XLogP3.50
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 53.50
H-Bond Donors ≤ 52
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-pentylpropanamide
CID 18135458
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
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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-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
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N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119640145
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-[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
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride (CID 119429994) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride is CNCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1.Cl.Cl.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride?
The InChIKey is GQIDFUODNTWGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.2ClH/c1-18-9-4-10-19-15(21)7-8-16-20-11-14(22-16)12-5-2-3-6-13(12)17;;/h2-3,5-6,11,18H,4,7-10H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride has a molecular weight of 394.73 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 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-(methylamino)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119429994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).