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

C20H19N3O4 — CID 18822660

IUPAC2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(Nc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1
InChIInChI=1S/C20H19N3O4/c1-4-26-15-8-6-14(7-9-15)22-20-16(12-21)23-19(27-20)13-5-10-17(24-2)18(11-13)25-3/h5-11,22H,4H2,1-3H3
InChIKeyGAJBLLUAEMXZEM-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.37
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile (PubChem CID 18822660) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
PubChem CID18822660
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(Nc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1
InChIInChI=1S/C20H19N3O4/c1-4-26-15-8-6-14(7-9-15)22-20-16(12-21)23-19(27-20)13-5-10-17(24-2)18(11-13)25-3/h5-11,22H,4H2,1-3H3
InChIKeyGAJBLLUAEMXZEM-UHFFFAOYSA-N
XLogP4.37
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile (CID 18822660) is 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile is CCOc1ccc(Nc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile?
The InChIKey is GAJBLLUAEMXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-4-26-15-8-6-14(7-9-15)22-20-16(12-21)23-19(27-20)13-5-10-17(24-2)18(11-13)25-3/h5-11,22H,4H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile?
2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).