5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine

C18H18N2O4 — CID 5329854

IUPAC5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
SMILESCOc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O4/c1-21-14-9-13(10-15(22-2)17(14)23-3)20-18-19-11-16(24-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)
InChIKeyCKYLEUNHWFIYOR-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.11
Rot. Bonds6

About 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine

5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 5329854) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
PubChem CID5329854
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
SMILESCOc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1OC
InChIInChI=1S/C18H18N2O4/c1-21-14-9-13(10-15(22-2)17(14)23-3)20-18-19-11-16(24-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)
InChIKeyCKYLEUNHWFIYOR-UHFFFAOYSA-N
XLogP4.11
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine (CID 5329854) is 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine is COc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is CKYLEUNHWFIYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-21-14-9-13(10-15(22-2)17(14)23-3)20-18-19-11-16(24-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20).
What are the key properties of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 326.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 5329854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).