3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide

C18H27N5O2 — CID 53116090

IUPAC3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1nc(N2CCCCC2)c2c(CC)noc2n1
InChIInChI=1S/C18H27N5O2/c1-3-10-19-15(24)9-8-14-20-17(23-11-6-5-7-12-23)16-13(4-2)22-25-18(16)21-14/h3-12H2,1-2H3,(H,19,24)
InChIKeyAGTWGOSAKYLRDR-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.63
Rot. Bonds7

About 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide

3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide (PubChem CID 53116090) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
PubChem CID53116090
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1nc(N2CCCCC2)c2c(CC)noc2n1
InChIInChI=1S/C18H27N5O2/c1-3-10-19-15(24)9-8-14-20-17(23-11-6-5-7-12-23)16-13(4-2)22-25-18(16)21-14/h3-12H2,1-2H3,(H,19,24)
InChIKeyAGTWGOSAKYLRDR-UHFFFAOYSA-N
XLogP2.63
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide (CID 53116090) is 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide is CCCNC(=O)CCc1nc(N2CCCCC2)c2c(CC)noc2n1.
What is the InChIKey of 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
The InChIKey is AGTWGOSAKYLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-10-19-15(24)9-8-14-20-17(23-11-6-5-7-12-23)16-13(4-2)22-25-18(16)21-14/h3-12H2,1-2H3,(H,19,24).
What are the key properties of 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide is sourced from PubChem (CID 53116090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).