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

C15H15N3O2 — CID 661030

IUPAC5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1
InChIInChI=1S/C15H15N3O2/c1-2-19-12-7-3-10(4-8-12)14-18-13(9-16)15(20-14)17-11-5-6-11/h3-4,7-8,11,17H,2,5-6H2,1H3
InChIKeyLUQFVPQHEAJURV-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.19
Rot. Bonds5

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

5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 661030) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID661030
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1
InChIInChI=1S/C15H15N3O2/c1-2-19-12-7-3-10(4-8-12)14-18-13(9-16)15(20-14)17-11-5-6-11/h3-4,7-8,11,17H,2,5-6H2,1H3
InChIKeyLUQFVPQHEAJURV-UHFFFAOYSA-N
XLogP3.19
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 661030) is 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile is CCOc1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is LUQFVPQHEAJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-19-12-7-3-10(4-8-12)14-18-13(9-16)15(20-14)17-11-5-6-11/h3-4,7-8,11,17H,2,5-6H2,1H3.
What are the key properties of 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).