5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile

C17H15N3O4 — CID 14931728

IUPAC5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1oc(-c2nc(-c3ccccc3)oc2OCC)nc1C#N
InChIInChI=1S/C17H15N3O4/c1-3-21-16-12(10-18)19-15(24-16)13-17(22-4-2)23-14(20-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
InChIKeyLOBZYAYXDBKABJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.67
Rot. Bonds6

About 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile

5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 14931728) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile
PubChem CID14931728
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1oc(-c2nc(-c3ccccc3)oc2OCC)nc1C#N
InChIInChI=1S/C17H15N3O4/c1-3-21-16-12(10-18)19-15(24-16)13-17(22-4-2)23-14(20-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
InChIKeyLOBZYAYXDBKABJ-UHFFFAOYSA-N
XLogP3.67
TPSA94.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)-methylamino]acetic acid
CID 155943118
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822730
5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 892137
5-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole-4-carbonitrile
CID 5163524
5-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 949795
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 171336651
2-(4-ethoxyphenyl)-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 171336652
2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
CID 143438347
2-(4-ethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile
CID 3574712
5-ethoxy-2-(4-methylsulfonylphenyl)-1,3-oxazole-4-carboxylic acid
CID 62884828
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile (CID 14931728) is 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile is CCOc1oc(-c2nc(-c3ccccc3)oc2OCC)nc1C#N.
What is the InChIKey of 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is LOBZYAYXDBKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-3-21-16-12(10-18)19-15(24-16)13-17(22-4-2)23-14(20-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile?
5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 325.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 14931728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).