4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol

C19H19NO4 — CID 927908

IUPAC4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCCc1cc(-c2oncc2-c2ccc(OC)cc2)c(O)cc1OC
InChIInChI=1S/C19H19NO4/c1-4-12-9-15(17(21)10-18(12)23-3)19-16(11-20-24-19)13-5-7-14(22-2)8-6-13/h5-11,21H,4H2,1-3H3
InChIKeyBNBHIGLOMVMJDB-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.29
Rot. Bonds5

About 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol

4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 927908) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID927908
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCCc1cc(-c2oncc2-c2ccc(OC)cc2)c(O)cc1OC
InChIInChI=1S/C19H19NO4/c1-4-12-9-15(17(21)10-18(12)23-3)19-16(11-20-24-19)13-5-7-14(22-2)8-6-13/h5-11,21H,4H2,1-3H3
InChIKeyBNBHIGLOMVMJDB-UHFFFAOYSA-N
XLogP4.29
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol (CID 927908) is 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol is CCc1cc(-c2oncc2-c2ccc(OC)cc2)c(O)cc1OC.
What is the InChIKey of 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is BNBHIGLOMVMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-4-12-9-15(17(21)10-18(12)23-3)19-16(11-20-24-19)13-5-7-14(22-2)8-6-13/h5-11,21H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 325.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 927908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).