methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate

C16H19NO4 — CID 114371286

IUPACmethyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(OCC)cc2)oc1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-4-6-13-14(16(18)19-3)21-15(17-13)11-7-9-12(10-8-11)20-5-2/h7-10H,4-6H2,1-3H3
InChIKeyMYNFUWVQONKZGG-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.48
Rot. Bonds6

About methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371286) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371286
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(OCC)cc2)oc1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-4-6-13-14(16(18)19-3)21-15(17-13)11-7-9-12(10-8-11)20-5-2/h7-10H,4-6H2,1-3H3
InChIKeyMYNFUWVQONKZGG-UHFFFAOYSA-N
XLogP3.48
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
methyl 2-(5-iodothiophen-3-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371049
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 106690540
ethyl 4-(bromomethyl)-2-(4-butoxyphenyl)-1,3-oxazole-5-carboxylate
CID 143299975
methyl 2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazole-5-carboxylate
CID 58284345
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl 4-(bromomethyl)-2-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
CID 67530278
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284
methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371280
methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107003577

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate (CID 114371286) is methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2ccc(OCC)cc2)oc1C(=O)OC.
What is the InChIKey of methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is MYNFUWVQONKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-6-13-14(16(18)19-3)21-15(17-13)11-7-9-12(10-8-11)20-5-2/h7-10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).