ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C8H13NO3 — CID 44720605

IUPACethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(C)OC1C
InChIInChI=1S/C8H13NO3/c1-4-11-8(10)7-5(2)12-6(3)9-7/h5,7H,4H2,1-3H3
InChIKeyIDCDEOFHXDPCQE-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.76
Rot. Bonds2

About ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 44720605) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID44720605
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(C)OC1C
InChIInChI=1S/C8H13NO3/c1-4-11-8(10)7-5(2)12-6(3)9-7/h5,7H,4H2,1-3H3
InChIKeyIDCDEOFHXDPCQE-UHFFFAOYSA-N
XLogP0.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 44720605) is ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=C(C)OC1C.
What is the InChIKey of ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is IDCDEOFHXDPCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-11-8(10)7-5(2)12-6(3)9-7/h5,7H,4H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 44720605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).