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

C19H26N6O2 — CID 122339514

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

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H26N6O2/c1-13-12-16(21-19(20-13)25-6-4-5-7-25)23-8-10-24(11-9-23)18(26)17-14(2)22-27-15(17)3/h12H,4-11H2,1-3H3
InChIKeyJIDCEIWVAFXOHX-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.95
Rot. Bonds3

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122339514) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122339514
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H26N6O2/c1-13-12-16(21-19(20-13)25-6-4-5-7-25)23-8-10-24(11-9-23)18(26)17-14(2)22-27-15(17)3/h12H,4-11H2,1-3H3
InChIKeyJIDCEIWVAFXOHX-UHFFFAOYSA-N
XLogP1.95
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122339514) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc(N2CCCC2)n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JIDCEIWVAFXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-12-16(21-19(20-13)25-6-4-5-7-25)23-8-10-24(11-9-23)18(26)17-14(2)22-27-15(17)3/h12H,4-11H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 370.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122339514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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