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

C19H23N5O3 — CID 92567796

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

5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 92567796) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 92567796
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cc(C2CC2)on1
• InChI: InChI=1S/C19H23N5O3/c25-18(16-8-17(27-23-16)12-3-4-12)21-14-2-1-6-24(10-14)19-20-9-13-11-26-7-5-15(13)22-19/h8-9,12,14H,1-7,10-11H2,(H,21,25)/t14-/m0/s1
• InChIKey: XDPZFKGLOKLCCX-AWEZNQCLSA-N
• XLogP: 1.81
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (CID 92567796) is 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cc(C2CC2)on1.

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

The InChIKey is XDPZFKGLOKLCCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(16-8-17(27-23-16)12-3-4-12)21-14-2-1-6-24(10-14)19-20-9-13-11-26-7-5-15(13)22-19/h8-9,12,14H,1-7,10-11H2,(H,21,25)/t14-/m0/s1.

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

5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92567796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).