2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid

C12H10N2O5 — CID 63745197

IUPAC2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2ccon2)cc1
InChIInChI=1S/C12H10N2O5/c15-11(16)7-18-9-3-1-8(2-4-9)13-12(17)10-5-6-19-14-10/h1-6H,7H2,(H,13,17)(H,15,16)
InChIKeyCNQLCMTXEXUPRB-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid

2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid (PubChem CID 63745197) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
PubChem CID63745197
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2ccon2)cc1
InChIInChI=1S/C12H10N2O5/c15-11(16)7-18-9-3-1-8(2-4-9)13-12(17)10-5-6-19-14-10/h1-6H,7H2,(H,13,17)(H,15,16)
InChIKeyCNQLCMTXEXUPRB-UHFFFAOYSA-N
XLogP1.39
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 76930127
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
CID 114030968
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid (CID 63745197) is 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2ccon2)cc1.
What is the InChIKey of 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid?
The InChIKey is CNQLCMTXEXUPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-11(16)7-18-9-3-1-8(2-4-9)13-12(17)10-5-6-19-14-10/h1-6H,7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid?
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid has a molecular weight of 262.22 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 63745197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).