2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid

C25H28N2O5 — CID 142055877

IUPAC2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(CNC(=O)Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
InChIInChI=1S/C25H28N2O5/c1-4-18(25(29)30)12-17-10-11-22(31-3)20(13-17)15-26-23(28)14-21-16(2)32-24(27-21)19-8-6-5-7-9-19/h5-11,13,18H,4,12,14-15H2,1-3H3,(H,26,28)(H,29,30)
InChIKeyZSGJLGSABKMNEU-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.17
Rot. Bonds10

About 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid

2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid (PubChem CID 142055877) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
PubChem CID142055877
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(CNC(=O)Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
InChIInChI=1S/C25H28N2O5/c1-4-18(25(29)30)12-17-10-11-22(31-3)20(13-17)15-26-23(28)14-21-16(2)32-24(27-21)19-8-6-5-7-9-19/h5-11,13,18H,4,12,14-15H2,1-3H3,(H,26,28)(H,29,30)
InChIKeyZSGJLGSABKMNEU-UHFFFAOYSA-N
XLogP4.17
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid with MolForge

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Related Compounds

2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid
CID 22494098
2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243082
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid
CID 22494357
2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11760451
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30371615
3-[3-[[(4-methoxythiophene-3-carbonyl)amino]methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58978951
N-ethyl-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 55724396
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid (CID 142055877) is 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid is CCC(Cc1ccc(OC)c(CNC(=O)Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O.
What is the InChIKey of 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid?
The InChIKey is ZSGJLGSABKMNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-18(25(29)30)12-17-10-11-22(31-3)20(13-17)15-26-23(28)14-21-16(2)32-24(27-21)19-8-6-5-7-9-19/h5-11,13,18H,4,12,14-15H2,1-3H3,(H,26,28)(H,29,30).
What are the key properties of 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid?
2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid has a molecular weight of 436.51 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid is sourced from PubChem (CID 142055877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).