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

C15H16FNO4 — CID 114371293

IUPACmethyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(F)c(OC)c2)oc1C(=O)OC
InChIInChI=1S/C15H16FNO4/c1-4-5-11-13(15(18)20-3)21-14(17-11)9-6-7-10(16)12(8-9)19-2/h6-8H,4-5H2,1-3H3
InChIKeyQBCYDGSHLMWFNN-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.23
Rot. Bonds5

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

methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371293) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371293
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(F)c(OC)c2)oc1C(=O)OC
InChIInChI=1S/C15H16FNO4/c1-4-5-11-13(15(18)20-3)21-14(17-11)9-6-7-10(16)12(8-9)19-2/h6-8H,4-5H2,1-3H3
InChIKeyQBCYDGSHLMWFNN-UHFFFAOYSA-N
XLogP3.23
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284
2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373410
ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
methyl 2-(3,4-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371667
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
methyl 2-(5-iodothiophen-3-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371049
methyl 2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazole-5-carboxylate
CID 58284345
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 106690540
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
methyl 4-(bromomethyl)-2-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
CID 67530278

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate (CID 114371293) is methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2ccc(F)c(OC)c2)oc1C(=O)OC.
What is the InChIKey of methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is QBCYDGSHLMWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-4-5-11-13(15(18)20-3)21-14(17-11)9-6-7-10(16)12(8-9)19-2/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 293.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).