2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol

C18H16BrNO3 — CID 5197033

IUPAC2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2oncc2-c2ccc(Br)cc2)c(O)cc1OC
InChIInChI=1S/C18H16BrNO3/c1-3-11-8-14(16(21)9-17(11)22-2)18-15(10-20-23-18)12-4-6-13(19)7-5-12/h4-10,21H,3H2,1-2H3
InChIKeyFTPCUVAIXIXMEJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.05
Rot. Bonds4

About 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol

2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol (PubChem CID 5197033) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
PubChem CID5197033
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2oncc2-c2ccc(Br)cc2)c(O)cc1OC
InChIInChI=1S/C18H16BrNO3/c1-3-11-8-14(16(21)9-17(11)22-2)18-15(10-20-23-18)12-4-6-13(19)7-5-12/h4-10,21H,3H2,1-2H3
InChIKeyFTPCUVAIXIXMEJ-UHFFFAOYSA-N
XLogP5.05
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol (CID 5197033) is 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol is CCc1cc(-c2oncc2-c2ccc(Br)cc2)c(O)cc1OC.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
The InChIKey is FTPCUVAIXIXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-3-11-8-14(16(21)9-17(11)22-2)18-15(10-20-23-18)12-4-6-13(19)7-5-12/h4-10,21H,3H2,1-2H3.
What are the key properties of 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol has a molecular weight of 374.23 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 5197033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).