methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate

C11H10N2O3 — CID 16731543

IUPACmethyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2cccc(N)c2)n1
InChIInChI=1S/C11H10N2O3/c1-15-11(14)9-6-16-10(13-9)7-3-2-4-8(12)5-7/h2-6H,12H2,1H3
InChIKeyDMYYNNQYJLRBAH-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.71
Rot. Bonds2

About methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate

methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 16731543) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
PubChem CID16731543
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2cccc(N)c2)n1
InChIInChI=1S/C11H10N2O3/c1-15-11(14)9-6-16-10(13-9)7-3-2-4-8(12)5-7/h2-6H,12H2,1H3
InChIKeyDMYYNNQYJLRBAH-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3494554
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 88958839
3-(4-tert-butyl-1,3-oxazol-2-yl)aniline
CID 115029631
2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3483922
[2-(3-aminophenyl)-1,3-oxazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 3857561
3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971452
methyl 4-(3-aminophenyl)-1H-pyrrole-3-carboxylate
CID 117223553
cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71452942
3-[4-(2-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971523
methyl 2-[2-[(2-nitrophenoxy)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 129015457
methyl 7-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200375

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate (CID 16731543) is methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2cccc(N)c2)n1.
What is the InChIKey of methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is DMYYNNQYJLRBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-11(14)9-6-16-10(13-9)7-3-2-4-8(12)5-7/h2-6H,12H2,1H3.
What are the key properties of methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate?
methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 16731543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).