piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone

C11H17N3O2 — CID 82509550

IUPACpiperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
SMILESCCCc1ocnc1C(=O)N1CCNCC1
InChIInChI=1S/C11H17N3O2/c1-2-3-9-10(13-8-16-9)11(15)14-6-4-12-5-7-14/h8,12H,2-7H2,1H3
InChIKeyZWEDOPSDNBLEQX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.67
Rot. Bonds3

About piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone

piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone (PubChem CID 82509550) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
PubChem CID82509550
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namepiperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
SMILESCCCc1ocnc1C(=O)N1CCNCC1
InChIInChI=1S/C11H17N3O2/c1-2-3-9-10(13-8-16-9)11(15)14-6-4-12-5-7-14/h8,12H,2-7H2,1H3
InChIKeyZWEDOPSDNBLEQX-UHFFFAOYSA-N
XLogP0.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
[1-(4-tert-butylphenyl)-5-propyltriazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400420
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95986872
1,3-oxazol-2-yl(piperazin-1-yl)methanone
CID 83617555
(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266893
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
CID 117214816
(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82510921

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone (CID 82509550) is piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone is CCCc1ocnc1C(=O)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone?
The InChIKey is ZWEDOPSDNBLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-9-10(13-8-16-9)11(15)14-6-4-12-5-7-14/h8,12H,2-7H2,1H3.
What are the key properties of piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone?
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 82509550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).