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

C11H10N2O3 — CID 117218660

IUPAC(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate
SMILESCc1cccc(OC(=O)c2oncc2N)c1
InChIInChI=1S/C11H10N2O3/c1-7-3-2-4-8(5-7)15-11(14)10-9(12)6-13-16-10/h2-6H,12H2,1H3
InChIKeyOEPDEZMMVZSEQY-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.78
Rot. Bonds2

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

(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate (PubChem CID 117218660) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate
PubChem CID117218660
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate
SMILESCc1cccc(OC(=O)c2oncc2N)c1
InChIInChI=1S/C11H10N2O3/c1-7-3-2-4-8(5-7)15-11(14)10-9(12)6-13-16-10/h2-6H,12H2,1H3
InChIKeyOEPDEZMMVZSEQY-UHFFFAOYSA-N
XLogP1.78
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218664
(3-chlorophenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218662
(3-methylphenyl) 6-aminopyridine-2-carboxylate
CID 117212817
(3-methylphenyl) 2-amino-1-methylpyrrole-3-carboxylate
CID 117213642
(3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate
CID 117213339
(3-methylphenyl) 3-aminopropanoate
CID 82111471
(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7901076
(3-methylphenyl) 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 2028035
(3-methylphenyl) 5-methylthiophene-2-carboxylate
CID 129259656
bis(3-methylphenyl) bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 142747872
bis(3-methylphenyl) pentanedioate
CID 70246036
1-O-ethyl 4-O-(3-methylphenyl) butanedioate
CID 91702415

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate?
The IUPAC name of (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate (CID 117218660) is (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate?
The canonical SMILES for (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate is Cc1cccc(OC(=O)c2oncc2N)c1.
What is the InChIKey of (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate?
The InChIKey is OEPDEZMMVZSEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-3-2-4-8(5-7)15-11(14)10-9(12)6-13-16-10/h2-6H,12H2,1H3.
What are the key properties of (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate?
(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 117218660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).