2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid

C20H22N2O5 — CID 11675095

IUPAC2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)c1ccc(OCCN(C)c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-25-18(19(23)24)14-8-10-15(11-9-14)26-13-12-22(2)20-21-16-6-4-5-7-17(16)27-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24)
InChIKeyUQZLGILXAVFTFQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.51
Rot. Bonds9

About 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid

2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid (PubChem CID 11675095) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid
PubChem CID11675095
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)c1ccc(OCCN(C)c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-25-18(19(23)24)14-8-10-15(11-9-14)26-13-12-22(2)20-21-16-6-4-5-7-17(16)27-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24)
InChIKeyUQZLGILXAVFTFQ-UHFFFAOYSA-N
XLogP3.51
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(2-(18F)fluoroethoxy)propanoic acid
CID 12964619
methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-iodopropanoate
CID 23362209
diethyl 2-[[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]methyl]butanedioate
CID 10049617
3-[3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]pyrrol-1-yl]propanoic acid
CID 67842008
2-(2-aminoethylsulfanyl)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]propanoic acid
CID 23362217
N-methyl-N-[2-[4-[2-(2,2,2-trifluoroethoxy)propyl]phenoxy]ethyl]-1,3-benzoxazol-2-amine
CID 71021586
methyl 2-(benzenesulfonyl)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]propanoate
CID 23362230
(2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 11146106
2-[[3-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]methyl]-3-methoxyiminobutanoic acid
CID 72975980
methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[N-(cyclopentanecarbonyl)anilino]propanoate
CID 70227478
4-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620382
methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(2-benzoyl-4-methylanilino)propanoate
CID 57111554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid?
The IUPAC name of 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid (CID 11675095) is 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid.
What is the SMILES notation for 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid?
The canonical SMILES for 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid is CCOC(C(=O)O)c1ccc(OCCN(C)c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid?
The InChIKey is UQZLGILXAVFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-25-18(19(23)24)14-8-10-15(11-9-14)26-13-12-22(2)20-21-16-6-4-5-7-17(16)27-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid?
2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid has a molecular weight of 370.41 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxyacetic acid is sourced from PubChem (CID 11675095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).