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(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone

C20H26N6O2 — CID 122333056

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1
InChIInChI=1S/C20H26N6O2/c1-14-12-18(24-6-2-3-7-24)22-20(21-14)26-10-8-25(9-11-26)19(27)16-13-17(28-23-16)15-4-5-15/h12-13,15H,2-11H2,1H3
InChIKeyFZBBXDQYKAAIPC-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.21
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 122333056) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID122333056
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1
InChIInChI=1S/C20H26N6O2/c1-14-12-18(24-6-2-3-7-24)22-20(21-14)26-10-8-25(9-11-26)19(27)16-13-17(28-23-16)15-4-5-15/h12-13,15H,2-11H2,1H3
InChIKeyFZBBXDQYKAAIPC-UHFFFAOYSA-N
XLogP2.21
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 122333056) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone is Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is FZBBXDQYKAAIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-12-18(24-6-2-3-7-24)22-20(21-14)26-10-8-25(9-11-26)19(27)16-13-17(28-23-16)15-4-5-15/h12-13,15H,2-11H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122333056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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