5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile

C9H11N3O — CID 34924759

IUPAC5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
SMILESC=C(C)c1nc(C#N)c(NCC)o1
InChIInChI=1S/C9H11N3O/c1-4-11-9-7(5-10)12-8(13-9)6(2)3/h11H,2,4H2,1,3H3
InChIKeyAZOWFVCRNDUOOY-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.01
Rot. Bonds3

About 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile

5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 34924759) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID34924759
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
SMILESC=C(C)c1nc(C#N)c(NCC)o1
InChIInChI=1S/C9H11N3O/c1-4-11-9-7(5-10)12-8(13-9)6(2)3/h11H,2,4H2,1,3H3
InChIKeyAZOWFVCRNDUOOY-UHFFFAOYSA-N
XLogP2.01
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile (CID 34924759) is 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile is C=C(C)c1nc(C#N)c(NCC)o1.
What is the InChIKey of 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is AZOWFVCRNDUOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-4-11-9-7(5-10)12-8(13-9)6(2)3/h11H,2,4H2,1,3H3.
What are the key properties of 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34924759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).