N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide

C18H23N5O3 — CID 92589072

About N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide

N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 92589072) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
• PubChem CID: 92589072
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
• SMILES: CCc1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1
• InChI: InChI=1S/C18H23N5O3/c1-2-14-8-16(22-26-14)17(24)20-13-4-3-6-23(10-13)18-19-9-12-11-25-7-5-15(12)21-18/h8-9,13H,2-7,10-11H2,1H3,(H,20,24)/t13-/m0/s1
• InChIKey: RDRBIGYJRCJIKW-ZDUSSCGKSA-N
• XLogP: 1.50
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 92589072) is N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1.

What is the InChIKey of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?

The InChIKey is RDRBIGYJRCJIKW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-14-8-16(22-26-14)17(24)20-13-4-3-6-23(10-13)18-19-9-12-11-25-7-5-15(12)21-18/h8-9,13H,2-7,10-11H2,1H3,(H,20,24)/t13-/m0/s1.

What are the key properties of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?

N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92589072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).