5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole

C17H14FNO3 — CID 56943507

IUPAC5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H14FNO3/c1-20-13-6-3-11(4-7-13)16-17(22-10-19-16)12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3
InChIKeyNEWXTHWGRRPNSW-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.16
Rot. Bonds4

About 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole

5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 56943507) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
PubChem CID56943507
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H14FNO3/c1-20-13-6-3-11(4-7-13)16-17(22-10-19-16)12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3
InChIKeyNEWXTHWGRRPNSW-UHFFFAOYSA-N
XLogP4.16
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole (CID 56943507) is 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncoc2-c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is NEWXTHWGRRPNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-20-13-6-3-11(4-7-13)16-17(22-10-19-16)12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole?
5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 299.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56943507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).