(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H18N6O2 — CID 110393045

IUPAC(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)c1nnc(C(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H18N6O2/c1-10(2)11-17-18-12(22-11)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,10H,6-9H2,1-2H3
InChIKeyMXECDKATGMOFCT-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.95
Rot. Bonds3

About (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110393045) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110393045
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)c1nnc(C(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H18N6O2/c1-10(2)11-17-18-12(22-11)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,10H,6-9H2,1-2H3
InChIKeyMXECDKATGMOFCT-UHFFFAOYSA-N
XLogP0.95
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393038
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide
CID 110396572
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396609
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 17464213
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110393045) is (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)c1nnc(C(=O)N2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MXECDKATGMOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10(2)11-17-18-12(22-11)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 302.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110393045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).