3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride

C17H23Cl4N3O2 — CID 120653572

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.Cl.Cl
InChIInChI=1S/C17H21Cl2N3O2.2ClH/c1-3-20-11(2)9-21-16(23)6-7-17-22-10-15(24-17)13-5-4-12(18)8-14(13)19;;/h4-5,8,10-11,20H,3,6-7,9H2,1-2H3,(H,21,23);2*1H/t11-;;/m1../s1
InChIKeyREVRRMDDYAIFQD-NVJADKKVSA-N
MW443.20 g/mol
LogP4.54
Rot. Bonds8

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride (PubChem CID 120653572) has the molecular formula C17H23Cl4N3O2 and a molecular weight of 443.20 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
PubChem CID120653572
Molecular FormulaC17H23Cl4N3O2
Molecular Weight443.20 g/mol
Exact Mass441.05
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.Cl.Cl
InChIInChI=1S/C17H21Cl2N3O2.2ClH/c1-3-20-11(2)9-21-16(23)6-7-17-22-10-15(24-17)13-5-4-12(18)8-14(13)19;;/h4-5,8,10-11,20H,3,6-7,9H2,1-2H3,(H,21,23);2*1H/t11-;;/m1../s1
InChIKeyREVRRMDDYAIFQD-NVJADKKVSA-N
XLogP4.54
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.20
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
CID 30039999
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]propanoic acid
CID 119208683
N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 33329663
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 29416058
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 37485188
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride (CID 120653572) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride is CCN[C@H](C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.Cl.Cl.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride?
The InChIKey is REVRRMDDYAIFQD-NVJADKKVSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2.2ClH/c1-3-20-11(2)9-21-16(23)6-7-17-22-10-15(24-17)13-5-4-12(18)8-14(13)19;;/h4-5,8,10-11,20H,3,6-7,9H2,1-2H3,(H,21,23);2*1H/t11-;;/m1../s1.
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride has a molecular weight of 443.20 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 120653572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).