[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C16H20N4O2 — CID 3854320

IUPAC[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESNCCc1nc(C(=O)N2CCN(c3ccccc3)CC2)co1
InChIInChI=1S/C16H20N4O2/c17-7-6-15-18-14(12-22-15)16(21)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h1-5,12H,6-11,17H2
InChIKeyVJSWZUSMHWXJCK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.14
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3854320) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID3854320
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESNCCc1nc(C(=O)N2CCN(c3ccccc3)CC2)co1
InChIInChI=1S/C16H20N4O2/c17-7-6-15-18-14(12-22-15)16(21)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h1-5,12H,6-11,17H2
InChIKeyVJSWZUSMHWXJCK-UHFFFAOYSA-N
XLogP1.14
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
CID 3855734
[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 46051863
[2-[[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 46051871
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582
[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 143943434
(4-ethylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42850996
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1198523
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 3854320) is [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is NCCc1nc(C(=O)N2CCN(c3ccccc3)CC2)co1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VJSWZUSMHWXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-7-6-15-18-14(12-22-15)16(21)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h1-5,12H,6-11,17H2.
What are the key properties of [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3854320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).