5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole

C11H14N4O — CID 136995804

IUPAC5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole
SMILESc1cc(-c2cc(N3CCNCC3)on2)c[nH]1
InChIInChI=1S/C11H14N4O/c1-2-13-8-9(1)10-7-11(16-14-10)15-5-3-12-4-6-15/h1-2,7-8,12-13H,3-6H2
InChIKeyCNIJFBSJNZQDJL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.08
Rot. Bonds2

About 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole

5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole (PubChem CID 136995804) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole
PubChem CID136995804
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole
SMILESc1cc(-c2cc(N3CCNCC3)on2)c[nH]1
InChIInChI=1S/C11H14N4O/c1-2-13-8-9(1)10-7-11(16-14-10)15-5-3-12-4-6-15/h1-2,7-8,12-13H,3-6H2
InChIKeyCNIJFBSJNZQDJL-UHFFFAOYSA-N
XLogP1.08
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole
CID 116825968
3-methoxy-5-piperazin-1-yl-1,2-oxazole
CID 82601687
3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
CID 116825944
2-(1H-pyrrol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 83636631
2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile
CID 116867260
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986
5-cyclohexa-1,5-dien-1-yl-3-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1,2-oxazole
CID 68742005
3-piperazin-1-yl-5-propan-2-yl-1,2-oxazole
CID 83669738
3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
CID 171471589

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole?
The IUPAC name of 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole (CID 136995804) is 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole is c1cc(-c2cc(N3CCNCC3)on2)c[nH]1.
What is the InChIKey of 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole?
The InChIKey is CNIJFBSJNZQDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-13-8-9(1)10-7-11(16-14-10)15-5-3-12-4-6-15/h1-2,7-8,12-13H,3-6H2.
What are the key properties of 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole?
5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole has a molecular weight of 218.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole is sourced from PubChem (CID 136995804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).