2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid

C28H26N2O5 — CID 142216313

IUPAC2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid
SMILESCC(=O)N(Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C28H26N2O5/c1-20(31)30(26(28(32)33)22-8-4-2-5-9-22)18-21-12-14-25(15-13-21)34-17-16-24-19-35-27(29-24)23-10-6-3-7-11-23/h2-15,19,26H,16-18H2,1H3,(H,32,33)
InChIKeyVJVNGJPCABFNPK-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.14
Rot. Bonds10

About 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid

2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid (PubChem CID 142216313) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid
PubChem CID142216313
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid
SMILESCC(=O)N(Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C28H26N2O5/c1-20(31)30(26(28(32)33)22-8-4-2-5-9-22)18-21-12-14-25(15-13-21)34-17-16-24-19-35-27(29-24)23-10-6-3-7-11-23/h2-15,19,26H,16-18H2,1H3,(H,32,33)
InChIKeyVJVNGJPCABFNPK-UHFFFAOYSA-N
XLogP5.14
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide
CID 67706926
3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanehydrazide
CID 67706985
2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
CID 59093125
2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 143294203
(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 25118077
[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl methanimidothioate
CID 142046622
2-amino-3-[4-[benzyl-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]carbamoyl]oxyphenyl]propanoic acid
CID 139844137
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
N-[[4-[2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 54398589
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
2,6-ditert-butyl-4-[4-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol;dihydrate;hydrochloride
CID 135853158
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid (CID 142216313) is 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid is CC(=O)N(Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid?
The InChIKey is VJVNGJPCABFNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-20(31)30(26(28(32)33)22-8-4-2-5-9-22)18-21-12-14-25(15-13-21)34-17-16-24-19-35-27(29-24)23-10-6-3-7-11-23/h2-15,19,26H,16-18H2,1H3,(H,32,33).
What are the key properties of 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid?
2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid has a molecular weight of 470.53 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 142216313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).