[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C13H17N5O2 — CID 90533155

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H17N5O2/c19-13(12-1-2-15-20-12)18-9-7-16(8-10-18)5-6-17-4-3-14-11-17/h1-4,11H,5-10H2
InChIKeyNGNZUXCJOLGNOV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.33
Rot. Bonds4

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 90533155) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID90533155
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H17N5O2/c19-13(12-1-2-15-20-12)18-9-7-16(8-10-18)5-6-17-4-3-14-11-17/h1-4,11H,5-10H2
InChIKeyNGNZUXCJOLGNOV-UHFFFAOYSA-N
XLogP0.33
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 90533155) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is NGNZUXCJOLGNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-13(12-1-2-15-20-12)18-9-7-16(8-10-18)5-6-17-4-3-14-11-17/h1-4,11H,5-10H2.
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).