[(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone

C26H27N7O4 — CID 162675024

About [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone

[(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 162675024) has the molecular formula C26H27N7O4 and a molecular weight of 501.55 g/mol. Its IUPAC name is [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
• PubChem CID: 162675024
• Molecular Formula: C26H27N7O4
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.21
• IUPAC Name: [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
• SMILES: O=C(c1cnoc1)N1CC[C@@H](Nc2nccc(-c3c(-c4ccccc4)noc3CN3CCOCC3)n2)C1
• InChI: InChI=1S/C26H27N7O4/c34-25(19-14-28-36-17-19)33-9-7-20(15-33)29-26-27-8-6-21(30-26)23-22(16-32-10-12-35-13-11-32)37-31-24(23)18-4-2-1-3-5-18/h1-6,8,14,17,20H,7,9-13,15-16H2,(H,27,29,30)/t20-/m1/s1
• InChIKey: XONPBJZXVCGCGI-HXUWFJFHSA-N
• XLogP: 2.95
• TPSA: 122.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

The IUPAC name of [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone (CID 162675024) is [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

The canonical SMILES for [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone is O=C(c1cnoc1)N1CC[C@@H](Nc2nccc(-c3c(-c4ccccc4)noc3CN3CCOCC3)n2)C1.

What is the InChIKey of [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

The InChIKey is XONPBJZXVCGCGI-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27N7O4/c34-25(19-14-28-36-17-19)33-9-7-20(15-33)29-26-27-8-6-21(30-26)23-22(16-32-10-12-35-13-11-32)37-31-24(23)18-4-2-1-3-5-18/h1-6,8,14,17,20H,7,9-13,15-16H2,(H,27,29,30)/t20-/m1/s1.

What are the key properties of [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

[(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 501.55 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[[4-[5-(morpholin-4-ylmethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 162675024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).