5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile

C14H15N3O3 — CID 20983363

IUPAC5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCCOc1cc(OCC)cc(-c2noc(N)c2C#N)c1
InChIInChI=1S/C14H15N3O3/c1-3-18-10-5-9(6-11(7-10)19-4-2)13-12(8-15)14(16)20-17-13/h5-7H,3-4,16H2,1-2H3
InChIKeyYQESTDNRDBDHIF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.59
Rot. Bonds5

About 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile

5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 20983363) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile
PubChem CID20983363
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCCOc1cc(OCC)cc(-c2noc(N)c2C#N)c1
InChIInChI=1S/C14H15N3O3/c1-3-18-10-5-9(6-11(7-10)19-4-2)13-12(8-15)14(16)20-17-13/h5-7H,3-4,16H2,1-2H3
InChIKeyYQESTDNRDBDHIF-UHFFFAOYSA-N
XLogP2.59
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile (CID 20983363) is 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile is CCOc1cc(OCC)cc(-c2noc(N)c2C#N)c1.
What is the InChIKey of 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is YQESTDNRDBDHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-18-10-5-9(6-11(7-10)19-4-2)13-12(8-15)14(16)20-17-13/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 273.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 20983363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).