[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone

C19H28N6O2 — CID 20929324

IUPAC[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCN(c3ncnc4onc(C)c34)CC2)CC1
InChIInChI=1S/C19H28N6O2/c1-3-6-23-9-11-25(12-10-23)19(26)15-4-7-24(8-5-15)17-16-14(2)22-27-18(16)21-13-20-17/h13,15H,3-12H2,1-2H3
InChIKeyNVSROZNCLOTAPS-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.70
Rot. Bonds4

About [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone

[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 20929324) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID20929324
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCN(c3ncnc4onc(C)c34)CC2)CC1
InChIInChI=1S/C19H28N6O2/c1-3-6-23-9-11-25(12-10-23)19(26)15-4-7-24(8-5-15)17-16-14(2)22-27-18(16)21-13-20-17/h13,15H,3-12H2,1-2H3
InChIKeyNVSROZNCLOTAPS-UHFFFAOYSA-N
XLogP1.70
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone (CID 20929324) is [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)C2CCN(c3ncnc4onc(C)c34)CC2)CC1.
What is the InChIKey of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is NVSROZNCLOTAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-3-6-23-9-11-25(12-10-23)19(26)15-4-7-24(8-5-15)17-16-14(2)22-27-18(16)21-13-20-17/h13,15H,3-12H2,1-2H3.
What are the key properties of [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone?
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 20929324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).