3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole

C9H15N3O2 — CID 96621570

IUPAC3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCOc1cc(CN2CCNCC2)on1
InChIInChI=1S/C9H15N3O2/c1-13-9-6-8(14-11-9)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3
InChIKeyHGIWYAYMHARZHI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.09
Rot. Bonds3

About 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole

3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 96621570) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID96621570
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCOc1cc(CN2CCNCC2)on1
InChIInChI=1S/C9H15N3O2/c1-13-9-6-8(14-11-9)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3
InChIKeyHGIWYAYMHARZHI-UHFFFAOYSA-N
XLogP0.09
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
3-methoxy-5-piperazin-1-yl-1,2-oxazole
CID 82601687
3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196786
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile
CID 155249642
3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196789
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
methyl 3-methyl-5-(piperazin-1-ylmethyl)furan-2-carboxylate
CID 43162328
5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 65483646

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole (CID 96621570) is 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole is COc1cc(CN2CCNCC2)on1.
What is the InChIKey of 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is HGIWYAYMHARZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-9-6-8(14-11-9)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3.
What are the key properties of 3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole?
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 197.24 g/mol, XLogP of 0.09, 3 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-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 96621570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).