2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

C23H28Cl2N4O2 — CID 119882152

IUPAC2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H26N4O2.2ClH/c24-20(15-18-7-3-1-4-8-18)23(28)27-13-11-26(12-14-27)17-22-25-16-21(29-22)19-9-5-2-6-10-19;;/h1-10,16,20H,11-15,17,24H2;2*1H
InChIKeyOLBXVZUHQLFDEP-UHFFFAOYSA-N
MW463.41 g/mol
LogP3.40
Rot. Bonds6

About 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119882152) has the molecular formula C23H28Cl2N4O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119882152
Molecular FormulaC23H28Cl2N4O2
Molecular Weight463.41 g/mol
Exact Mass462.16
IUPAC Name2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H26N4O2.2ClH/c24-20(15-18-7-3-1-4-8-18)23(28)27-13-11-26(12-14-27)17-22-25-16-21(29-22)19-9-5-2-6-10-19;;/h1-10,16,20H,11-15,17,24H2;2*1H
InChIKeyOLBXVZUHQLFDEP-UHFFFAOYSA-N
XLogP3.40
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119877124
2-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834080
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882198
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119882164
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
2-amino-3-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119903178
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;trihydrochloride
CID 119399480

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 119882152) is 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is OLBXVZUHQLFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.2ClH/c24-20(15-18-7-3-1-4-8-18)23(28)27-13-11-26(12-14-27)17-22-25-16-21(29-22)19-9-5-2-6-10-19;;/h1-10,16,20H,11-15,17,24H2;2*1H.
What are the key properties of 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 463.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119882152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).