[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone

C15H20N6O3 — CID 56871754

IUPAC[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCCc1cc(N2CCN(C(=O)c3nnc(COC)o3)CC2)ncn1
InChIInChI=1S/C15H20N6O3/c1-3-11-8-12(17-10-16-11)20-4-6-21(7-5-20)15(22)14-19-18-13(24-14)9-23-2/h8,10H,3-7,9H2,1-2H3
InChIKeyAPSCTQGZUJAHCX-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.53
Rot. Bonds5

About [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone

[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 56871754) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID56871754
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCCc1cc(N2CCN(C(=O)c3nnc(COC)o3)CC2)ncn1
InChIInChI=1S/C15H20N6O3/c1-3-11-8-12(17-10-16-11)20-4-6-21(7-5-20)15(22)14-19-18-13(24-14)9-23-2/h8,10H,3-7,9H2,1-2H3
InChIKeyAPSCTQGZUJAHCX-UHFFFAOYSA-N
XLogP0.53
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone with MolForge

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Related Compounds

6-Cyclopropyl-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-methylpyrimidin-4-amine
CID 72857867
(2R,6R)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 137870707
4-Cyclopropyl-6-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
CID 145869085
4-Tert-butyl-6-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
CID 156008117
1-(4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-methoxyethanone
CID 45502405
1-{[5-(Methoxymethyl)-1,3,4-oxadiazol-2-yl]carbonyl}-4-(6-methylpyridin-2-yl)piperazine
CID 56868267
2-(4-Ethylpyrimidin-2-yl)-1,3,4-oxadiazole
CID 170099421
6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50961545
6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50970575
1-Morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione
CID 55922143
2-Morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 55922274
1-[4-(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-methoxyethanone
CID 56796856

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone (CID 56871754) is [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone is CCc1cc(N2CCN(C(=O)c3nnc(COC)o3)CC2)ncn1.
What is the InChIKey of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is APSCTQGZUJAHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-3-11-8-12(17-10-16-11)20-4-6-21(7-5-20)15(22)14-19-18-13(24-14)9-23-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone?
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 332.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 56871754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).