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

C19H20N2O5 — CID 46227182

IUPAC4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N)cc1
InChIInChI=1S/C19H20N2O5/c1-22-13-7-5-11(6-8-13)16-17(21-26-19(16)20)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,20H2,1-4H3
InChIKeyVUFWURPHGAUZMX-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.63
Rot. Bonds6

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

4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 46227182) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID46227182
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N)cc1
InChIInChI=1S/C19H20N2O5/c1-22-13-7-5-11(6-8-13)16-17(21-26-19(16)20)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,20H2,1-4H3
InChIKeyVUFWURPHGAUZMX-UHFFFAOYSA-N
XLogP3.63
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
CID 132548516
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 63798656
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
4-(6-methoxy-3-pyridinyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761350
3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
CID 102883442

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine (CID 46227182) is 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is VUFWURPHGAUZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-22-13-7-5-11(6-8-13)16-17(21-26-19(16)20)12-9-14(23-2)18(25-4)15(10-12)24-3/h5-10H,20H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine?
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 356.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 46227182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).