3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one

C19H23Cl2N3O3 — CID 86803286

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1
InChIInChI=1S/C19H23Cl2N3O3/c1-13(25)12-23-6-8-24(9-7-23)19(26)5-4-18-22-11-17(27-18)15-3-2-14(20)10-16(15)21/h2-3,10-11,13,25H,4-9,12H2,1H3/t13-/m1/s1
InChIKeyVKIWZYJABHTJFH-CYBMUJFWSA-N
MW412.32 g/mol
LogP3.11
Rot. Bonds6

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (PubChem CID 86803286) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
PubChem CID86803286
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1
InChIInChI=1S/C19H23Cl2N3O3/c1-13(25)12-23-6-8-24(9-7-23)19(26)5-4-18-22-11-17(27-18)15-3-2-14(20)10-16(15)21/h2-3,10-11,13,25H,4-9,12H2,1H3/t13-/m1/s1
InChIKeyVKIWZYJABHTJFH-CYBMUJFWSA-N
XLogP3.11
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835841
4-[[4-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]methyl]benzamide
CID 112826624
1-(1,4-diazepan-1-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119415447
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55517839
ethyl 1-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 29432198
1-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256090
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119489324
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120809748
4-[4-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]-1,4-diazepan-1-yl]benzonitrile
CID 55716027
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]propanoic acid
CID 119208683
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119467216
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (CID 86803286) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one is C[C@@H](O)CN1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The InChIKey is VKIWZYJABHTJFH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-13(25)12-23-6-8-24(9-7-23)19(26)5-4-18-22-11-17(27-18)15-3-2-14(20)10-16(15)21/h2-3,10-11,13,25H,4-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one has a molecular weight of 412.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86803286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).