methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate

C12H19N3O3 — CID 78982340

IUPACmethyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cnoc2)CC1
InChIInChI=1S/C12H19N3O3/c1-17-12(16)2-3-14-4-6-15(7-5-14)9-11-8-13-18-10-11/h8,10H,2-7,9H2,1H3
InChIKeyRPOBPZHHYHTEBO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.36
Rot. Bonds5

About methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate

methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate (PubChem CID 78982340) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate
PubChem CID78982340
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cnoc2)CC1
InChIInChI=1S/C12H19N3O3/c1-17-12(16)2-3-14-4-6-15(7-5-14)9-11-8-13-18-10-11/h8,10H,2-7,9H2,1H3
InChIKeyRPOBPZHHYHTEBO-UHFFFAOYSA-N
XLogP0.36
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate (CID 78982340) is methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(Cc2cnoc2)CC1.
What is the InChIKey of methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate?
The InChIKey is RPOBPZHHYHTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-12(16)2-3-14-4-6-15(7-5-14)9-11-8-13-18-10-11/h8,10H,2-7,9H2,1H3.
What are the key properties of methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate?
methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate has a molecular weight of 253.30 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 78982340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).