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

C18H24N6O2 — CID 122333073

IUPAC(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cnoc3C)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-13-11-16(22-5-3-4-6-22)21-18(20-13)24-9-7-23(8-10-24)17(25)15-12-19-26-14(15)2/h11-12H,3-10H2,1-2H3
InChIKeyPICXKDVLDJXBPC-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.64
Rot. Bonds3

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

(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 122333073) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID122333073
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cnoc3C)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-13-11-16(22-5-3-4-6-22)21-18(20-13)24-9-7-23(8-10-24)17(25)15-12-19-26-14(15)2/h11-12H,3-10H2,1-2H3
InChIKeyPICXKDVLDJXBPC-UHFFFAOYSA-N
XLogP1.64
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339514
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
(2,4-dichlorophenyl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047592
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122340314
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333056
(2-chloro-4-fluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031867
(2,5-dimethylfuran-3-yl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333529

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 122333073) is (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone is Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cnoc3C)CC2)n1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is PICXKDVLDJXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-11-16(22-5-3-4-6-22)21-18(20-13)24-9-7-23(8-10-24)17(25)15-12-19-26-14(15)2/h11-12H,3-10H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122333073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).