dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate

C13H11NO5 — CID 11379968

IUPACdimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(-c2ncco2)c1
InChIInChI=1S/C13H11NO5/c1-17-12(15)9-5-8(11-14-3-4-19-11)6-10(7-9)13(16)18-2/h3-7H,1-2H3
InChIKeyYSBUQBYKHBCLFL-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.91
Rot. Bonds3

About dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate

dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate (PubChem CID 11379968) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate
PubChem CID11379968
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Namedimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(-c2ncco2)c1
InChIInChI=1S/C13H11NO5/c1-17-12(15)9-5-8(11-14-3-4-19-11)6-10(7-9)13(16)18-2/h3-7H,1-2H3
InChIKeyYSBUQBYKHBCLFL-UHFFFAOYSA-N
XLogP1.91
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxycarbonyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 21085836
methyl 3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1,3-oxazol-2-yl)benzoate
CID 57496018
3-methyl-5-(1,3-oxazol-2-yl)benzamide
CID 142673231
3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide
CID 21062892
methyl 7-oxobicyclo[3.1.1]hepta-1(6),2,4-triene-3-carboxylate chloride
CID 22765130
methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate
CID 175706536
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
diethylcarbamoyl 3-(1,3-oxazol-2-yl)benzoate
CID 91105777
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 8-(1,3-oxazol-2-yl)-4-pentyl-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 58966651
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate (CID 11379968) is dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)cc(-c2ncco2)c1.
What is the InChIKey of dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate?
The InChIKey is YSBUQBYKHBCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-17-12(15)9-5-8(11-14-3-4-19-11)6-10(7-9)13(16)18-2/h3-7H,1-2H3.
What are the key properties of dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate?
dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate has a molecular weight of 261.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 11379968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).