(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C14H23N5O2 — CID 104971307

IUPAC(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2noc(C3CCCN3)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-10(2)18-6-8-19(9-7-18)14(20)12-16-13(21-17-12)11-4-3-5-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyHXAQMYYTPNINBO-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.66
Rot. Bonds3

About (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104971307) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID104971307
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2noc(C3CCCN3)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-10(2)18-6-8-19(9-7-18)14(20)12-16-13(21-17-12)11-4-3-5-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyHXAQMYYTPNINBO-UHFFFAOYSA-N
XLogP0.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104971307) is (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is CC(C)N1CCN(C(=O)c2noc(C3CCCN3)n2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is HXAQMYYTPNINBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)18-6-8-19(9-7-18)14(20)12-16-13(21-17-12)11-4-3-5-15-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104971307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).