5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile

C20H19N3O3 — CID 892137

IUPAC5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2C#N)cc1
InChIInChI=1S/C20H19N3O3/c1-3-24-16-9-5-14(6-10-16)19-23-18(13-21)20(26-19)22-15-7-11-17(12-8-15)25-4-2/h5-12,22H,3-4H2,1-2H3
InChIKeyBLEFGFLSIDNQJB-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.75
Rot. Bonds7

About 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile

5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 892137) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID892137
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2C#N)cc1
InChIInChI=1S/C20H19N3O3/c1-3-24-16-9-5-14(6-10-16)19-23-18(13-21)20(26-19)22-15-7-11-17(12-8-15)25-4-2/h5-12,22H,3-4H2,1-2H3
InChIKeyBLEFGFLSIDNQJB-UHFFFAOYSA-N
XLogP4.75
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 892137) is 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile is CCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2C#N)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is BLEFGFLSIDNQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-24-16-9-5-14(6-10-16)19-23-18(13-21)20(26-19)22-15-7-11-17(12-8-15)25-4-2/h5-12,22H,3-4H2,1-2H3.
What are the key properties of 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).