2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide

C35H47N5O5 — CID 172849152

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
SMILESCC(C)(C)OC1CNC(CC(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)CC5CC(OC(C)(C)C)CN5)cc4)o3)cc2)C1
InChIInChI=1S/C35H47N5O5/c1-34(2,3)44-28-15-26(36-19-28)17-31(41)39-24-11-7-22(8-12-24)30-21-38-33(43-30)23-9-13-25(14-10-23)40-32(42)18-27-16-29(20-37-27)45-35(4,5)6/h7-14,21,26-29,36-37H,15-20H2,1-6H3,(H,39,41)(H,40,42)
InChIKeyXVHAWCDLLDLIGN-UHFFFAOYSA-N
MW617.79 g/mol
LogP5.76
Rot. Bonds10

About 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide

2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide (PubChem CID 172849152) has the molecular formula C35H47N5O5 and a molecular weight of 617.79 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
PubChem CID172849152
Molecular FormulaC35H47N5O5
Molecular Weight617.79 g/mol
Exact Mass617.36
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
SMILESCC(C)(C)OC1CNC(CC(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)CC5CC(OC(C)(C)C)CN5)cc4)o3)cc2)C1
InChIInChI=1S/C35H47N5O5/c1-34(2,3)44-28-15-26(36-19-28)17-31(41)39-24-11-7-22(8-12-24)30-21-38-33(43-30)23-9-13-25(14-10-23)40-32(42)18-27-16-29(20-37-27)45-35(4,5)6/h7-14,21,26-29,36-37H,15-20H2,1-6H3,(H,39,41)(H,40,42)
InChIKeyXVHAWCDLLDLIGN-UHFFFAOYSA-N
XLogP5.76
TPSA126.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 55.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide (CID 172849152) is 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide is CC(C)(C)OC1CNC(CC(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)CC5CC(OC(C)(C)C)CN5)cc4)o3)cc2)C1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The InChIKey is XVHAWCDLLDLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N5O5/c1-34(2,3)44-28-15-26(36-19-28)17-31(41)39-24-11-7-22(8-12-24)30-21-38-33(43-30)23-9-13-25(14-10-23)40-32(42)18-27-16-29(20-37-27)45-35(4,5)6/h7-14,21,26-29,36-37H,15-20H2,1-6H3,(H,39,41)(H,40,42).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide has a molecular weight of 617.79 g/mol, XLogP of 5.76, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 172849152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).