3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid

C19H15ClFNO4 — CID 121225088

IUPAC3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid
SMILESCOc1cccc(Cl)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1
InChIInChI=1S/C19H15ClFNO4/c1-25-16-4-2-3-15(20)18(16)12-7-11(8-13(21)9-12)14(10-17(23)24)19-22-5-6-26-19/h2-9,14H,10H2,1H3,(H,23,24)
InChIKeyQXXUUDRMJBMZNT-UHFFFAOYSA-N
MW375.78 g/mol
LogP4.75
Rot. Bonds6

About 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid

3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid (PubChem CID 121225088) has the molecular formula C19H15ClFNO4 and a molecular weight of 375.78 g/mol. Its IUPAC name is 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid
PubChem CID121225088
Molecular FormulaC19H15ClFNO4
Molecular Weight375.78 g/mol
Exact Mass375.07
IUPAC Name3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid
SMILESCOc1cccc(Cl)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1
InChIInChI=1S/C19H15ClFNO4/c1-25-16-4-2-3-15(20)18(16)12-7-11(8-13(21)9-12)14(10-17(23)24)19-22-5-6-26-19/h2-9,14H,10H2,1H3,(H,23,24)
InChIKeyQXXUUDRMJBMZNT-UHFFFAOYSA-N
XLogP4.75
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid (CID 121225088) is 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid is COc1cccc(Cl)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1.
What is the InChIKey of 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The InChIKey is QXXUUDRMJBMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO4/c1-25-16-4-2-3-15(20)18(16)12-7-11(8-13(21)9-12)14(10-17(23)24)19-22-5-6-26-19/h2-9,14H,10H2,1H3,(H,23,24).
What are the key properties of 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid has a molecular weight of 375.78 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 121225088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).