methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate

C19H16FNO3 — CID 3061223

IUPACmethyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(-c2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C19H16FNO3/c1-12(19(22)23-2)13-3-5-14(6-4-13)17-11-18(24-21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3
InChIKeyAHSUOGMFXVPPPG-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.42
Rot. Bonds4

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

methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate (PubChem CID 3061223) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
PubChem CID3061223
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Namemethyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(-c2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C19H16FNO3/c1-12(19(22)23-2)13-3-5-14(6-4-13)17-11-18(24-21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3
InChIKeyAHSUOGMFXVPPPG-UHFFFAOYSA-N
XLogP4.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate?
The IUPAC name of methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate (CID 3061223) is methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate?
The canonical SMILES for methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate is COC(=O)C(C)c1ccc(-c2cc(-c3ccc(F)cc3)on2)cc1.
What is the InChIKey of methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate?
The InChIKey is AHSUOGMFXVPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-12(19(22)23-2)13-3-5-14(6-4-13)17-11-18(24-21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3.
What are the key properties of methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate?
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate has a molecular weight of 325.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate is sourced from PubChem (CID 3061223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).