(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone

C16H19N3O3 — CID 90573738

IUPAC(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)on1
InChIInChI=1S/C16H19N3O3/c1-21-15-11-14(22-17-15)16(20)19-9-7-18(8-10-19)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyGZZQNCYSVSJKHI-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.64
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 90573738) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID90573738
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)on1
InChIInChI=1S/C16H19N3O3/c1-21-15-11-14(22-17-15)16(20)19-9-7-18(8-10-19)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyGZZQNCYSVSJKHI-UHFFFAOYSA-N
XLogP1.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
(3-phenyl-1,2-oxazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55646382
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 167811504
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 90573738) is (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)on1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is GZZQNCYSVSJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-15-11-14(22-17-15)16(20)19-9-7-18(8-10-19)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90573738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).