2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

C21H24N4O2 — CID 119879906

IUPAC2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc2oc(N3CCN(C(=O)C(N)Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C21H24N4O2/c1-15-7-8-19-18(13-15)23-21(27-19)25-11-9-24(10-12-25)20(26)17(22)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14,22H2,1H3
InChIKeyJPBDYBVRYOLTMR-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119879906) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119879906
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc2oc(N3CCN(C(=O)C(N)Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C21H24N4O2/c1-15-7-8-19-18(13-15)23-21(27-19)25-11-9-24(10-12-25)20(26)17(22)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14,22H2,1H3
InChIKeyJPBDYBVRYOLTMR-UHFFFAOYSA-N
XLogP2.35
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119877124
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119399469
2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
CID 119879956
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91828791
(2S)-2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;trihydrochloride
CID 119399480
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120800151
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879941
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119879906) is 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1ccc2oc(N3CCN(C(=O)C(N)Cc4ccccc4)CC3)nc2c1.
What is the InChIKey of 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is JPBDYBVRYOLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-8-19-18(13-15)23-21(27-19)25-11-9-24(10-12-25)20(26)17(22)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14,22H2,1H3.
What are the key properties of 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119879906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).