(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H17N5O2 — CID 1247460

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O2/c1-10-12(11(2)21-17-10)13(20)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-9H2,1-2H3
InChIKeyMDGZTOIHEVFPDZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.04
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1247460) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1247460
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O2/c1-10-12(11(2)21-17-10)13(20)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-9H2,1-2H3
InChIKeyMDGZTOIHEVFPDZ-UHFFFAOYSA-N
XLogP1.04
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 17464213
(2,4-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 84575538
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342013
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339514
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337262
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336413
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methanone
CID 163347120
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3341324

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1247460) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MDGZTOIHEVFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-12(11(2)21-17-10)13(20)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1247460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).