ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate

C14H14FNO3 — CID 102588150

IUPACethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
SMILESCCOC(=O)Cc1oc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3/c1-3-18-13(17)8-12-14(16-9(2)19-12)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyPFWMXLILNWOQOO-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.89
Rot. Bonds4

About ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate

ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate (PubChem CID 102588150) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
PubChem CID102588150
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Nameethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
SMILESCCOC(=O)Cc1oc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3/c1-3-18-13(17)8-12-14(16-9(2)19-12)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyPFWMXLILNWOQOO-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
CID 13392297
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate
CID 90340996
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
ethyl 2-[2-(4-fluorophenyl)-5-(5-formyl-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 59384959
ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 42883064
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 87519217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate (CID 102588150) is ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate is CCOC(=O)Cc1oc(C)nc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate?
The InChIKey is PFWMXLILNWOQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-3-18-13(17)8-12-14(16-9(2)19-12)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate?
ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate has a molecular weight of 263.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate is sourced from PubChem (CID 102588150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).