ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H17NO4 — CID 139762859

IUPACethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(C)OC1c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4/c1-4-18-14(16)12-13(19-9(2)15-12)10-5-7-11(17-3)8-6-10/h5-8,12-13H,4H2,1-3H3
InChIKeyXFZCMRGQNUXWDK-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.12
Rot. Bonds4

About ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762859) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762859
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(C)OC1c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4/c1-4-18-14(16)12-13(19-9(2)15-12)10-5-7-11(17-3)8-6-10/h5-8,12-13H,4H2,1-3H3
InChIKeyXFZCMRGQNUXWDK-UHFFFAOYSA-N
XLogP2.12
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842665
ethyl 5-(5-ethylfuran-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762775
methyl (4R,5R)-2-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10087686
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
(4R,5R)-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 101366987
ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 11230866
ethyl (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzoxazole-2-carboxylate
CID 10737624
5-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115059928
ethyl (2S,3S)-3-(4-methoxyphenyl)-1-phenylaziridine-2-carboxylate
CID 15761716
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
methyl 2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762760
benzyl 5-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 54210680

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762859) is ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=C(C)OC1c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is XFZCMRGQNUXWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-18-14(16)12-13(19-9(2)15-12)10-5-7-11(17-3)8-6-10/h5-8,12-13H,4H2,1-3H3.
What are the key properties of ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).