3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine

C19H20N2O3 — CID 3717112

IUPAC3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
SMILESCCOc1cc(-c2cc(N)on2)c(OCC)cc1-c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-3-22-17-11-15(16-12-19(20)24-21-16)18(23-4-2)10-14(17)13-8-6-5-7-9-13/h5-12H,3-4,20H2,1-2H3
InChIKeyQBGWCKWYLYDOAX-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.39
Rot. Bonds6

About 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine

3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine (PubChem CID 3717112) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
PubChem CID3717112
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
SMILESCCOc1cc(-c2cc(N)on2)c(OCC)cc1-c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-3-22-17-11-15(16-12-19(20)24-21-16)18(23-4-2)10-14(17)13-8-6-5-7-9-13/h5-12H,3-4,20H2,1-2H3
InChIKeyQBGWCKWYLYDOAX-UHFFFAOYSA-N
XLogP4.39
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine
CID 3814351
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
CID 3764217
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
CID 159562874
2,4-diethoxy-1-phenylbenzene
CID 132889855
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54852298
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117299819
3-(5-ethoxy-1,2-oxazol-3-yl)aniline
CID 154683118
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine (CID 3717112) is 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine is CCOc1cc(-c2cc(N)on2)c(OCC)cc1-c1ccccc1.
What is the InChIKey of 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine?
The InChIKey is QBGWCKWYLYDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-22-17-11-15(16-12-19(20)24-21-16)18(23-4-2)10-14(17)13-8-6-5-7-9-13/h5-12H,3-4,20H2,1-2H3.
What are the key properties of 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine?
3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine has a molecular weight of 324.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3717112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).