5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

C14H15N3O2 — CID 645490

IUPAC5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCCNc1oc(COc2cccc(C)c2)nc1C#N
InChIInChI=1S/C14H15N3O2/c1-3-16-14-12(8-15)17-13(19-14)9-18-11-6-4-5-10(2)7-11/h4-7,16H,3,9H2,1-2H3
InChIKeyVAVFNRSLEFIIIT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds5

About 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 645490) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID645490
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCCNc1oc(COc2cccc(C)c2)nc1C#N
InChIInChI=1S/C14H15N3O2/c1-3-16-14-12(8-15)17-13(19-14)9-18-11-6-4-5-10(2)7-11/h4-7,16H,3,9H2,1-2H3
InChIKeyVAVFNRSLEFIIIT-UHFFFAOYSA-N
XLogP2.87
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 645490) is 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is CCNc1oc(COc2cccc(C)c2)nc1C#N.
What is the InChIKey of 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is VAVFNRSLEFIIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-16-14-12(8-15)17-13(19-14)9-18-11-6-4-5-10(2)7-11/h4-7,16H,3,9H2,1-2H3.
What are the key properties of 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 645490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).