5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole

C18H16FNO3 — CID 153320918

IUPAC5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2noc(CF)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16FNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyZSNBFKKVERDHJL-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.50
Rot. Bonds5

About 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole

5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole (PubChem CID 153320918) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
PubChem CID153320918
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2noc(CF)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16FNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyZSNBFKKVERDHJL-UHFFFAOYSA-N
XLogP4.50
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole (CID 153320918) is 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2noc(CF)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is ZSNBFKKVERDHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 313.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 153320918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).