(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C16H20N6O2 — CID 126893796

IUPAC(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CC(N3CCN(c4ncccn4)CC3)C2)co1
InChIInChI=1S/C16H20N6O2/c1-12-19-14(11-24-12)15(23)22-9-13(10-22)20-5-7-21(8-6-20)16-17-3-2-4-18-16/h2-4,11,13H,5-10H2,1H3
InChIKeyDPFMFHMCBMZIFT-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.42
Rot. Bonds3

About (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126893796) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126893796
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CC(N3CCN(c4ncccn4)CC3)C2)co1
InChIInChI=1S/C16H20N6O2/c1-12-19-14(11-24-12)15(23)22-9-13(10-22)20-5-7-21(8-6-20)16-17-3-2-4-18-16/h2-4,11,13H,5-10H2,1H3
InChIKeyDPFMFHMCBMZIFT-UHFFFAOYSA-N
XLogP0.42
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone with MolForge

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Related Compounds

(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893719
(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 100802472
(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 68777898
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893730
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95828746
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247
(2,4-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 84575538

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126893796) is (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is Cc1nc(C(=O)N2CC(N3CCN(c4ncccn4)CC3)C2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is DPFMFHMCBMZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-12-19-14(11-24-12)15(23)22-9-13(10-22)20-5-7-21(8-6-20)16-17-3-2-4-18-16/h2-4,11,13H,5-10H2,1H3.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126893796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).