(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone

C11H15N3O2 — CID 71695455

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cnoc1C1CC1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-11(14-5-3-12-4-6-14)9-7-13-16-10(9)8-1-2-8/h7-8,12H,1-6H2
InChIKeyTWOXLYCUQDGMGL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.60
Rot. Bonds2

About (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone

(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 71695455) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone
PubChem CID71695455
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cnoc1C1CC1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-11(14-5-3-12-4-6-14)9-7-13-16-10(9)8-1-2-8/h7-8,12H,1-6H2
InChIKeyTWOXLYCUQDGMGL-UHFFFAOYSA-N
XLogP0.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone (CID 71695455) is (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone is O=C(c1cnoc1C1CC1)N1CCNCC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is TWOXLYCUQDGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(14-5-3-12-4-6-14)9-7-13-16-10(9)8-1-2-8/h7-8,12H,1-6H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 71695455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).