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

C45H47N5O7 — CID 172691335

IUPAC2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
SMILESCOc1cccc(CC(=O)N2CCCC2CC(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)CC5CCCN5C(=O)Cc5cccc(OC)c5)cc4)o3)cc2)c1
InChIInChI=1S/C45H47N5O7/c1-55-38-11-3-7-30(23-38)25-43(53)49-21-5-9-36(49)27-41(51)47-34-17-13-32(14-18-34)40-29-46-45(57-40)33-15-19-35(20-16-33)48-42(52)28-37-10-6-22-50(37)44(54)26-31-8-4-12-39(24-31)56-2/h3-4,7-8,11-20,23-24,29,36-37H,5-6,9-10,21-22,25-28H2,1-2H3,(H,47,51)(H,48,52)
InChIKeyBSIVGCIKMPFRJU-UHFFFAOYSA-N
MW769.90 g/mol
LogP7.15
Rot. Bonds14

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

2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide (PubChem CID 172691335) has the molecular formula C45H47N5O7 and a molecular weight of 769.90 g/mol. Its IUPAC name is 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
PubChem CID172691335
Molecular FormulaC45H47N5O7
Molecular Weight769.90 g/mol
Exact Mass769.35
IUPAC Name2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
SMILESCOc1cccc(CC(=O)N2CCCC2CC(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)CC5CCCN5C(=O)Cc5cccc(OC)c5)cc4)o3)cc2)c1
InChIInChI=1S/C45H47N5O7/c1-55-38-11-3-7-30(23-38)25-43(53)49-21-5-9-36(49)27-41(51)47-34-17-13-32(14-18-34)40-29-46-45(57-40)33-15-19-35(20-16-33)48-42(52)28-37-10-6-22-50(37)44(54)26-31-8-4-12-39(24-31)56-2/h3-4,7-8,11-20,23-24,29,36-37H,5-6,9-10,21-22,25-28H2,1-2H3,(H,47,51)(H,48,52)
InChIKeyBSIVGCIKMPFRJU-UHFFFAOYSA-N
XLogP7.15
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2S,4R)-1-[2-(3-methoxyphenyl)acetyl]-N-[4-[2-[4-[[(2S,4R)-1-[2-(3-methoxyphenyl)acetyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 67311154
2-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484743
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230
1-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94813603
(2S)-N-[4-[2-[4-[2-[acetyl(formyl)amino]pyrrolidin-1-yl]phenyl]-1,3-oxazol-5-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 174663788
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide (CID 172691335) is 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide is COc1cccc(CC(=O)N2CCCC2CC(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)CC5CCCN5C(=O)Cc5cccc(OC)c5)cc4)o3)cc2)c1.
What is the InChIKey of 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The InChIKey is BSIVGCIKMPFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N5O7/c1-55-38-11-3-7-30(23-38)25-43(53)49-21-5-9-36(49)27-41(51)47-34-17-13-32(14-18-34)40-29-46-45(57-40)33-15-19-35(20-16-33)48-42(52)28-37-10-6-22-50(37)44(54)26-31-8-4-12-39(24-31)56-2/h3-4,7-8,11-20,23-24,29,36-37H,5-6,9-10,21-22,25-28H2,1-2H3,(H,47,51)(H,48,52).
What are the key properties of 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide has a molecular weight of 769.90 g/mol, XLogP of 7.15, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-N-[4-[2-[4-[[2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 172691335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).