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

C12H12N2O4 — CID 139223112

IUPACmethyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N)noc1-c1cc(C)ccc1O
InChIInChI=1S/C12H12N2O4/c1-6-3-4-8(15)7(5-6)10-9(12(16)17-2)11(13)14-18-10/h3-5,15H,1-2H3,(H2,13,14)
InChIKeyQQIVJHCCNCYROJ-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.72
Rot. Bonds2

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

methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate (PubChem CID 139223112) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate
PubChem CID139223112
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Namemethyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N)noc1-c1cc(C)ccc1O
InChIInChI=1S/C12H12N2O4/c1-6-3-4-8(15)7(5-6)10-9(12(16)17-2)11(13)14-18-10/h3-5,15H,1-2H3,(H2,13,14)
InChIKeyQQIVJHCCNCYROJ-UHFFFAOYSA-N
XLogP1.72
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-4-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086057
methyl 3-amino-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 105441014
methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086058
methyl 3-amino-7-methylquinoline-4-carboxylate
CID 115029491
methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate
CID 142675706
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
CID 13381524
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136965333
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 106856450
dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate
CID 71658314

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate (CID 139223112) is methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(N)noc1-c1cc(C)ccc1O.
What is the InChIKey of methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is QQIVJHCCNCYROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-6-3-4-8(15)7(5-6)10-9(12(16)17-2)11(13)14-18-10/h3-5,15H,1-2H3,(H2,13,14).
What are the key properties of methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate?
methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 139223112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).