2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile

C11H15N3O — CID 2132012

IUPAC2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
SMILESC=CCNc1oc(CC(C)C)nc1C#N
InChIInChI=1S/C11H15N3O/c1-4-5-13-11-9(7-12)14-10(15-11)6-8(2)3/h4,8,13H,1,5-6H2,2-3H3
InChIKeyBZYZOAGHPICIDO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile

2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 2132012) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
PubChem CID2132012
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
SMILESC=CCNc1oc(CC(C)C)nc1C#N
InChIInChI=1S/C11H15N3O/c1-4-5-13-11-9(7-12)14-10(15-11)6-8(2)3/h4,8,13H,1,5-6H2,2-3H3
InChIKeyBZYZOAGHPICIDO-UHFFFAOYSA-N
XLogP2.34
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile (CID 2132012) is 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile is C=CCNc1oc(CC(C)C)nc1C#N.
What is the InChIKey of 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is BZYZOAGHPICIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-5-13-11-9(7-12)14-10(15-11)6-8(2)3/h4,8,13H,1,5-6H2,2-3H3.
What are the key properties of 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2132012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).