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

C15H18FNO3 — CID 123178356

IUPACmethyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCc1cc(F)cc(C2=NOC(C(=O)OC)C2CC)c1
InChIInChI=1S/C15H18FNO3/c1-4-9-6-10(8-11(16)7-9)13-12(5-2)14(20-17-13)15(18)19-3/h6-8,12,14H,4-5H2,1-3H3
InChIKeyOEIMXPYUGHIXPF-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.69
Rot. Bonds4

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

methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 123178356) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID123178356
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namemethyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCc1cc(F)cc(C2=NOC(C(=O)OC)C2CC)c1
InChIInChI=1S/C15H18FNO3/c1-4-9-6-10(8-11(16)7-9)13-12(5-2)14(20-17-13)15(18)19-3/h6-8,12,14H,4-5H2,1-3H3
InChIKeyOEIMXPYUGHIXPF-UHFFFAOYSA-N
XLogP2.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 123178356) is methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is CCc1cc(F)cc(C2=NOC(C(=O)OC)C2CC)c1.
What is the InChIKey of methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is OEIMXPYUGHIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-4-9-6-10(8-11(16)7-9)13-12(5-2)14(20-17-13)15(18)19-3/h6-8,12,14H,4-5H2,1-3H3.
What are the key properties of methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-3-(3-ethyl-5-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 123178356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).