ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate

C15H14ClNO3 — CID 13282921

IUPACethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(/C=C/c2cccc(Cl)c2)oc1C
InChIInChI=1S/C15H14ClNO3/c1-3-19-15(18)14-10(2)20-13(17-14)8-7-11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3/b8-7+
InChIKeySAFOISHPYBCUDA-BQYQJAHWSA-N
MW291.73 g/mol
LogP3.98
Rot. Bonds4

About ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate

ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 13282921) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID13282921
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(/C=C/c2cccc(Cl)c2)oc1C
InChIInChI=1S/C15H14ClNO3/c1-3-19-15(18)14-10(2)20-13(17-14)8-7-11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3/b8-7+
InChIKeySAFOISHPYBCUDA-BQYQJAHWSA-N
XLogP3.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 13282931
ethyl 5-methyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carboxylate
CID 44557518
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-nitropyridine-3-carboxylate
CID 9039961
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate
CID 54257350
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl 3-(4-chlorophenyl)-5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-1,2-oxazole-4-carboxylate
CID 108765260
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate (CID 13282921) is ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(/C=C/c2cccc(Cl)c2)oc1C.
What is the InChIKey of ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is SAFOISHPYBCUDA-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-3-19-15(18)14-10(2)20-13(17-14)8-7-11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3/b8-7+.
What are the key properties of ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 13282921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).