1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

C15H22N6O2 — CID 50959769

IUPAC1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCc1nc(CN(C)c2nccc(N3CCCC(O)C3)n2)no1
InChIInChI=1S/C15H22N6O2/c1-3-14-17-12(19-23-14)10-20(2)15-16-7-6-13(18-15)21-8-4-5-11(22)9-21/h6-7,11,22H,3-5,8-10H2,1-2H3
InChIKeyYTCLKMWEVXCTPD-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 50959769) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID50959769
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCc1nc(CN(C)c2nccc(N3CCCC(O)C3)n2)no1
InChIInChI=1S/C15H22N6O2/c1-3-14-17-12(19-23-14)10-20(2)15-16-7-6-13(18-15)21-8-4-5-11(22)9-21/h6-7,11,22H,3-5,8-10H2,1-2H3
InChIKeyYTCLKMWEVXCTPD-UHFFFAOYSA-N
XLogP1.02
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 50959769) is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is CCc1nc(CN(C)c2nccc(N3CCCC(O)C3)n2)no1.
What is the InChIKey of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is YTCLKMWEVXCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-14-17-12(19-23-14)10-20(2)15-16-7-6-13(18-15)21-8-4-5-11(22)9-21/h6-7,11,22H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 318.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 50959769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).