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

C13H12FNO4 — CID 90340996

IUPACethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate
SMILESCCOC(=O)Oc1c(-c2ccc(F)cc2)noc1C
InChIInChI=1S/C13H12FNO4/c1-3-17-13(16)18-12-8(2)19-15-11(12)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKeyOLMHOGPEAARGMU-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.32
Rot. Bonds3

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

ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate (PubChem CID 90340996) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate
PubChem CID90340996
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Nameethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate
SMILESCCOC(=O)Oc1c(-c2ccc(F)cc2)noc1C
InChIInChI=1S/C13H12FNO4/c1-3-17-13(16)18-12-8(2)19-15-11(12)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKeyOLMHOGPEAARGMU-UHFFFAOYSA-N
XLogP3.32
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl] methyl carbonate
CID 175090584
ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate
CID 58752264
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole
CID 70158646
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472477
ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
CID 102588150
ethyl [4-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]phenyl] carbonate
CID 108765581
4-(2-ethoxy-4-pyridinyl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 58659495
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708968
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118

Frequently Asked Questions

What is the IUPAC name of ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate?
The IUPAC name of ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate (CID 90340996) is ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate.
What is the SMILES notation for ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate?
The canonical SMILES for ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate is CCOC(=O)Oc1c(-c2ccc(F)cc2)noc1C.
What is the InChIKey of ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate?
The InChIKey is OLMHOGPEAARGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-3-17-13(16)18-12-8(2)19-15-11(12)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate?
ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate has a molecular weight of 265.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate is sourced from PubChem (CID 90340996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).