2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid

C12H10N2O5 — CID 55148878

IUPAC2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2ccno2)c1
InChIInChI=1S/C12H10N2O5/c15-11(16)7-18-9-3-1-2-8(6-9)14-12(17)10-4-5-13-19-10/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyIJDBCPTVJZLDLT-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.39
Rot. Bonds5

About 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid

2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid (PubChem CID 55148878) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
PubChem CID55148878
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2ccno2)c1
InChIInChI=1S/C12H10N2O5/c15-11(16)7-18-9-3-1-2-8(6-9)14-12(17)10-4-5-13-19-10/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyIJDBCPTVJZLDLT-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

methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
CID 61057722
N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60630049
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
CID 61058223
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid (CID 55148878) is 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2ccno2)c1.
What is the InChIKey of 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid?
The InChIKey is IJDBCPTVJZLDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-11(16)7-18-9-3-1-2-8(6-9)14-12(17)10-4-5-13-19-10/h1-6H,7H2,(H,14,17)(H,15,16).
What are the key properties of 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid?
2-[3-(1,2-oxazole-5-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-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 55148878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).