[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C14H19N5O2 — CID 90533600

IUPAC[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C14H19N5O2/c1-12-15-4-5-18(12)9-6-17-7-10-19(11-8-17)14(20)13-2-3-16-21-13/h2-5H,6-11H2,1H3
InChIKeyLFSBSRPPPYGQJH-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.64
Rot. Bonds4

About [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 90533600) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID90533600
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C14H19N5O2/c1-12-15-4-5-18(12)9-6-17-7-10-19(11-8-17)14(20)13-2-3-16-21-13/h2-5H,6-11H2,1H3
InChIKeyLFSBSRPPPYGQJH-UHFFFAOYSA-N
XLogP0.64
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 90533600) is [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1nccn1CCN1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is LFSBSRPPPYGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-12-15-4-5-18(12)9-6-17-7-10-19(11-8-17)14(20)13-2-3-16-21-13/h2-5H,6-11H2,1H3.
What are the key properties of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90533600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).