ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate

C10H13NO3 — CID 25215536

IUPACethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
SMILESC/C=C(\C)c1nc(C(=O)OCC)co1
InChIInChI=1S/C10H13NO3/c1-4-7(3)9-11-8(6-14-9)10(12)13-5-2/h4,6H,5H2,1-3H3/b7-4+
InChIKeySISHEPTXWUOZDN-QPJJXVBHSA-N
MW195.22 g/mol
LogP2.27
Rot. Bonds3

About ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate (PubChem CID 25215536) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
PubChem CID25215536
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
SMILESC/C=C(\C)c1nc(C(=O)OCC)co1
InChIInChI=1S/C10H13NO3/c1-4-7(3)9-11-8(6-14-9)10(12)13-5-2/h4,6H,5H2,1-3H3/b7-4+
InChIKeySISHEPTXWUOZDN-QPJJXVBHSA-N
XLogP2.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methyliminomethyl)-1,3-oxazole-4-carboxylate
CID 163648530
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate
CID 15128948
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
CID 44516087
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
CID 71289099
ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate
CID 58296122
ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate
CID 59316824
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate (CID 25215536) is ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate is C/C=C(\C)c1nc(C(=O)OCC)co1.
What is the InChIKey of ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is SISHEPTXWUOZDN-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-7(3)9-11-8(6-14-9)10(12)13-5-2/h4,6H,5H2,1-3H3/b7-4+.
What are the key properties of ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 25215536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).