1,3-oxazol-2-yl(piperazin-1-yl)methanone

C8H11N3O2 — CID 83617555

IUPAC1,3-oxazol-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1ncco1)N1CCNCC1
InChIInChI=1S/C8H11N3O2/c12-8(7-10-3-6-13-7)11-4-1-9-2-5-11/h3,6,9H,1-2,4-5H2
InChIKeyPWRJOWFSZTVGJM-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.28
Rot. Bonds1

About 1,3-oxazol-2-yl(piperazin-1-yl)methanone

1,3-oxazol-2-yl(piperazin-1-yl)methanone (PubChem CID 83617555) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1,3-oxazol-2-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name1,3-oxazol-2-yl(piperazin-1-yl)methanone
PubChem CID83617555
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1,3-oxazol-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1ncco1)N1CCNCC1
InChIInChI=1S/C8H11N3O2/c12-8(7-10-3-6-13-7)11-4-1-9-2-5-11/h3,6,9H,1-2,4-5H2
InChIKeyPWRJOWFSZTVGJM-UHFFFAOYSA-N
XLogP-0.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
CID 110833104
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
(5-tert-butyl-1,3-oxazol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 110833105
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
1,4-diazepan-1-yl(1,3-oxazol-5-yl)methanone
CID 83617619
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
CID 82509550
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 43522513
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl(piperazin-1-yl)methanone?
The IUPAC name of 1,3-oxazol-2-yl(piperazin-1-yl)methanone (CID 83617555) is 1,3-oxazol-2-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 1,3-oxazol-2-yl(piperazin-1-yl)methanone?
The canonical SMILES for 1,3-oxazol-2-yl(piperazin-1-yl)methanone is O=C(c1ncco1)N1CCNCC1.
What is the InChIKey of 1,3-oxazol-2-yl(piperazin-1-yl)methanone?
The InChIKey is PWRJOWFSZTVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(7-10-3-6-13-7)11-4-1-9-2-5-11/h3,6,9H,1-2,4-5H2.
What are the key properties of 1,3-oxazol-2-yl(piperazin-1-yl)methanone?
1,3-oxazol-2-yl(piperazin-1-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 83617555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).