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

C24H26N2O5 — CID 22494098

IUPAC2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
InChIInChI=1S/C24H26N2O5/c1-4-17(24(28)29)12-16-10-11-21(30-3)20(13-16)25-22(27)14-19-15(2)31-23(26-19)18-8-6-5-7-9-18/h5-11,13,17H,4,12,14H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyVLVSKDIFTHTTCS-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.49
Rot. Bonds9

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

2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid (PubChem CID 22494098) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid
PubChem CID22494098
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
InChIInChI=1S/C24H26N2O5/c1-4-17(24(28)29)12-16-10-11-21(30-3)20(13-16)25-22(27)14-19-15(2)31-23(26-19)18-8-6-5-7-9-18/h5-11,13,17H,4,12,14H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyVLVSKDIFTHTTCS-UHFFFAOYSA-N
XLogP4.49
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.49
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]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]methyl]phenyl]methyl]butanoic acid
CID 142055877
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243082
N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-propoxyphenyl)acetamide
CID 16614535
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622288
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
2-[[3-[[2-[3-fluoro-2-(trifluoromethyl)phenyl]acetyl]amino]-4-methoxyphenyl]methyl]butanoic acid
CID 142657407

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]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid (CID 22494098) is 2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]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]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid is CCC(Cc1ccc(OC)c(NC(=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]phenyl]methyl]butanoic acid?
The InChIKey is VLVSKDIFTHTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-17(24(28)29)12-16-10-11-21(30-3)20(13-16)25-22(27)14-19-15(2)31-23(26-19)18-8-6-5-7-9-18/h5-11,13,17H,4,12,14H2,1-3H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid?
2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid has a molecular weight of 422.48 g/mol, XLogP of 4.49, 9 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]phenyl]methyl]butanoic acid is sourced from PubChem (CID 22494098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).