3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole

C10H15N3O — CID 173096245

IUPAC3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole
SMILESC(=CN1CCNCC1)Cc1ccon1
InChIInChI=1S/C10H15N3O/c1(2-10-3-9-14-12-10)6-13-7-4-11-5-8-13/h1,3,6,9,11H,2,4-5,7-8H2
InChIKeyMGCRWUHOOJZEDN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.64
Rot. Bonds3

About 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole

3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole (PubChem CID 173096245) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole
PubChem CID173096245
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole
SMILESC(=CN1CCNCC1)Cc1ccon1
InChIInChI=1S/C10H15N3O/c1(2-10-3-9-14-12-10)6-13-7-4-11-5-8-13/h1,3,6,9,11H,2,4-5,7-8H2
InChIKeyMGCRWUHOOJZEDN-UHFFFAOYSA-N
XLogP0.64
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
1,2-oxazol-3-ylmethanethiol
CID 15646083
2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine
CID 173241133
9-(3-piperazin-1-ylprop-2-enyl)carbazole
CID 173037585
3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81174141
2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one
CID 173202247
N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 126511816
N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108811781

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole?
The IUPAC name of 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole (CID 173096245) is 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole?
The canonical SMILES for 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole is C(=CN1CCNCC1)Cc1ccon1.
What is the InChIKey of 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole?
The InChIKey is MGCRWUHOOJZEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1(2-10-3-9-14-12-10)6-13-7-4-11-5-8-13/h1,3,6,9,11H,2,4-5,7-8H2.
What are the key properties of 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole?
3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole has a molecular weight of 193.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylprop-2-enyl)-1,2-oxazole is sourced from PubChem (CID 173096245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).