3-methoxy-5-piperazin-1-yl-1,2-oxazole

C8H13N3O2 — CID 82601687

IUPAC3-methoxy-5-piperazin-1-yl-1,2-oxazole
SMILESCOc1cc(N2CCNCC2)on1
InChIInChI=1S/C8H13N3O2/c1-12-7-6-8(13-10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyNEDPENABKQEKHF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.09
Rot. Bonds2

About 3-methoxy-5-piperazin-1-yl-1,2-oxazole

3-methoxy-5-piperazin-1-yl-1,2-oxazole (PubChem CID 82601687) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methoxy-5-piperazin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-piperazin-1-yl-1,2-oxazole
PubChem CID82601687
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-methoxy-5-piperazin-1-yl-1,2-oxazole
SMILESCOc1cc(N2CCNCC2)on1
InChIInChI=1S/C8H13N3O2/c1-12-7-6-8(13-10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyNEDPENABKQEKHF-UHFFFAOYSA-N
XLogP0.09
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
CID 116825944
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 96621570
5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole
CID 136995804
3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole
CID 116825968
5-methoxy-3-piperazin-1-yl-2,1-benzoxazole
CID 84696731
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
3-piperazin-1-yl-5-propan-2-yl-1,2-oxazole
CID 83669738
methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100433
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-(4-methoxy-2,6-dimethylphenyl)piperazine
CID 67282649
2-methoxy-6-methyl-4-piperazin-1-ylquinoline
CID 67319434
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-piperazin-1-yl-1,2-oxazole?
The IUPAC name of 3-methoxy-5-piperazin-1-yl-1,2-oxazole (CID 82601687) is 3-methoxy-5-piperazin-1-yl-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-piperazin-1-yl-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-piperazin-1-yl-1,2-oxazole is COc1cc(N2CCNCC2)on1.
What is the InChIKey of 3-methoxy-5-piperazin-1-yl-1,2-oxazole?
The InChIKey is NEDPENABKQEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-12-7-6-8(13-10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3.
What are the key properties of 3-methoxy-5-piperazin-1-yl-1,2-oxazole?
3-methoxy-5-piperazin-1-yl-1,2-oxazole has a molecular weight of 183.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-piperazin-1-yl-1,2-oxazole is sourced from PubChem (CID 82601687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).