2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile

C15H17N3O3 — CID 663731

IUPAC2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
SMILESCOCCCNc1oc(-c2ccccc2OC)nc1C#N
InChIInChI=1S/C15H17N3O3/c1-19-9-5-8-17-15-12(10-16)18-14(21-15)11-6-3-4-7-13(11)20-2/h3-4,6-7,17H,5,8-9H2,1-2H3
InChIKeyVPDVWVWUVLVIPP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.67
Rot. Bonds7

About 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile

2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 663731) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
PubChem CID663731
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
SMILESCOCCCNc1oc(-c2ccccc2OC)nc1C#N
InChIInChI=1S/C15H17N3O3/c1-19-9-5-8-17-15-12(10-16)18-14(21-15)11-6-3-4-7-13(11)20-2/h3-4,6-7,17H,5,8-9H2,1-2H3
InChIKeyVPDVWVWUVLVIPP-UHFFFAOYSA-N
XLogP2.67
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile (CID 663731) is 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile is COCCCNc1oc(-c2ccccc2OC)nc1C#N.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is VPDVWVWUVLVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-19-9-5-8-17-15-12(10-16)18-14(21-15)11-6-3-4-7-13(11)20-2/h3-4,6-7,17H,5,8-9H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).