ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C10H17NO3 — CID 15501178

IUPACethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1C(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6-8H,5H2,1-4H3
InChIKeyFWXWBCPXNJRAOR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.39
Rot. Bonds2

About ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 15501178) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID15501178
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1C(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6-8H,5H2,1-4H3
InChIKeyFWXWBCPXNJRAOR-UHFFFAOYSA-N
XLogP1.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204903
ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204287
ethyl (4S,5R)-5-(5-bromo-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 124603781
ethyl 5-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15501175
ethyl 5-(4-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 114867041
ethyl (4R,5R)-5-(2,4,6-trichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 125458772
ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204897
ethyl 5-(2,4,6-trichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 165438149
ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66205916
ethyl 5-(4-chloro-3-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66206732
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
ethyl 5-[1,1-bis(ethylsulfanyl)-3-oxo-3-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 102230119

Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 15501178) is ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=COC1C(C)(C)C.
What is the InChIKey of ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is FWXWBCPXNJRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15501178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).