(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate

C10H8N2O4 — CID 117218664

IUPAC(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
SMILESNc1cnoc1C(=O)Oc1cccc(O)c1
InChIInChI=1S/C10H8N2O4/c11-8-5-12-16-9(8)10(14)15-7-3-1-2-6(13)4-7/h1-5,13H,11H2
InChIKeyAPYUILNAVMZEPL-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.18
Rot. Bonds2

About (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate

(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate (PubChem CID 117218664) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
PubChem CID117218664
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
SMILESNc1cnoc1C(=O)Oc1cccc(O)c1
InChIInChI=1S/C10H8N2O4/c11-8-5-12-16-9(8)10(14)15-7-3-1-2-6(13)4-7/h1-5,13H,11H2
InChIKeyAPYUILNAVMZEPL-UHFFFAOYSA-N
XLogP1.18
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218662
(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218660
5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218109
(3-hydroxyphenyl) 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219135
5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117213155
(3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate
CID 117213339
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
(3-hydroxyphenyl) 5-amino-1-propan-2-ylpyrazole-3-carboxylate
CID 117215470
5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
CID 117218199
(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
(3-hydroxyphenyl) thiophene-2-carboxylate
CID 91704925

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate?
The IUPAC name of (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate (CID 117218664) is (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate?
The canonical SMILES for (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate is Nc1cnoc1C(=O)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate?
The InChIKey is APYUILNAVMZEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-8-5-12-16-9(8)10(14)15-7-3-1-2-6(13)4-7/h1-5,13H,11H2.
What are the key properties of (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate?
(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate has a molecular weight of 220.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 117218664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).