5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

C14H15N3O2 — CID 661337

IUPAC5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOCCNc1oc(-c2ccc(C)cc2)nc1C#N
InChIInChI=1S/C14H15N3O2/c1-10-3-5-11(6-4-10)13-17-12(9-15)14(19-13)16-7-8-18-2/h3-6,16H,7-8H2,1-2H3
InChIKeyJWWHBLZMDASIOB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds5

About 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 661337) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID661337
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOCCNc1oc(-c2ccc(C)cc2)nc1C#N
InChIInChI=1S/C14H15N3O2/c1-10-3-5-11(6-4-10)13-17-12(9-15)14(19-13)16-7-8-18-2/h3-6,16H,7-8H2,1-2H3
InChIKeyJWWHBLZMDASIOB-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 661337) is 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is COCCNc1oc(-c2ccc(C)cc2)nc1C#N.
What is the InChIKey of 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is JWWHBLZMDASIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-3-5-11(6-4-10)13-17-12(9-15)14(19-13)16-7-8-18-2/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).