2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

C11H17N3O — CID 82507423

IUPAC2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESc1oc(C2CC2)nc1CN1CCNCC1
InChIInChI=1S/C11H17N3O/c1-2-9(1)11-13-10(8-15-11)7-14-5-3-12-4-6-14/h8-9,12H,1-7H2
InChIKeyAGPVBWAIEZSKOA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.96
Rot. Bonds3

About 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 82507423) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID82507423
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESc1oc(C2CC2)nc1CN1CCNCC1
InChIInChI=1S/C11H17N3O/c1-2-9(1)11-13-10(8-15-11)7-14-5-3-12-4-6-14/h8-9,12H,1-7H2
InChIKeyAGPVBWAIEZSKOA-UHFFFAOYSA-N
XLogP0.96
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (CID 82507423) is 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is c1oc(C2CC2)nc1CN1CCNCC1.
What is the InChIKey of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is AGPVBWAIEZSKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(8-15-11)7-14-5-3-12-4-6-14/h8-9,12H,1-7H2.
What are the key properties of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 207.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 82507423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).