ethyl 2-methyl-1,3-oxazole-5-carboxylate

C7H9NO3 — CID 12639612

IUPACethyl 2-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C)o1
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChIKeyDFMWELRIWHPNSQ-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.16
Rot. Bonds2

About ethyl 2-methyl-1,3-oxazole-5-carboxylate

ethyl 2-methyl-1,3-oxazole-5-carboxylate (PubChem CID 12639612) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl 2-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1,3-oxazole-5-carboxylate
PubChem CID12639612
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl 2-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C)o1
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChIKeyDFMWELRIWHPNSQ-UHFFFAOYSA-N
XLogP1.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-methyl-1,3-oxazole-5-carboxylate
CID 135122446
ethyl 2-formyl-1,3-oxazole-5-carboxylate
CID 119087702
ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 158434340
ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate
CID 156769459
ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate
CID 175325734
ethyl 2-(2-pyridin-3-ylethynyl)-1,3-oxazole-5-carboxylate
CID 162391910
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
CID 139225277
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate
CID 54115065
ethyl 2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-oxazole-5-carboxylate
CID 168708254
ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
CID 83764600
N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 83617615

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-1,3-oxazole-5-carboxylate (CID 12639612) is ethyl 2-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(C)o1.
What is the InChIKey of ethyl 2-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is DFMWELRIWHPNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 12639612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).