furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C22H25N5O4 — CID 51584583

About furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 51584583) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• PubChem CID: 51584583
• Molecular Formula: C22H25N5O4
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.19
• IUPAC Name: furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)c3ccco3)C2)on1
• InChI: InChI=1S/C22H25N5O4/c1-15-12-19(31-25-15)17-13-23-22(26-7-10-29-11-8-26)24-20(17)16-4-2-6-27(14-16)21(28)18-5-3-9-30-18/h3,5,9,12-13,16H,2,4,6-8,10-11,14H2,1H3/t16-/m0/s1
• InChIKey: MTYIMHFMURWHRE-INIZCTEOSA-N
• XLogP: 2.89
• TPSA: 97.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The IUPAC name of furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 51584583) is furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)c3ccco3)C2)on1.

What is the InChIKey of furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The InChIKey is MTYIMHFMURWHRE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-12-19(31-25-15)17-13-23-22(26-7-10-29-11-8-26)24-20(17)16-4-2-6-27(14-16)21(28)18-5-3-9-30-18/h3,5,9,12-13,16H,2,4,6-8,10-11,14H2,1H3/t16-/m0/s1.

What are the key properties of furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 51584583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).